{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Y" "Y" ] } "a" { "source-value" [ 6.06582 5.659388 5.407497 5.224485 5.08066 4.962164 4.861398 4.77374 4.69617 4.626602 4.56354 4.505869 4.452741 4.403491 4.357592 4.314617 4.274214 4.236095 4.200013 4.165763 4.133168 4.102074 4.07235 4.04388 4.015098 3.985438 3.954845 3.923258 3.89061 3.856828 3.821829 3.785524 3.747811 3.708575 3.66769 3.625009 3.580369 3.53358 3.484426 3.432654 3.377969 3.320025 3.258408 3.19262 3.122056 3.045968 2.963416 2.8732 2.773749 2.662956 2.537895 2.394342 2.225861 2.02194 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.065820000000001e-10 5.659388e-10 5.407497e-10 5.224485e-10 5.080660000000001e-10 4.962164e-10 4.861398000000001e-10 4.77374e-10 4.696170000000001e-10 4.6266020000000005e-10 4.5635399999999996e-10 4.505869e-10 4.4527409999999997e-10 4.403491e-10 4.3575920000000006e-10 4.3146170000000005e-10 4.274214e-10 4.236095e-10 4.2000130000000005e-10 4.1657630000000003e-10 4.1331680000000004e-10 4.102074e-10 4.0723500000000004e-10 4.0438799999999997e-10 4.0150980000000003e-10 3.9854379999999997e-10 3.9548450000000005e-10 3.9232580000000004e-10 3.89061e-10 3.856828e-10 3.821829e-10 3.7855240000000004e-10 3.747811e-10 3.7085750000000003e-10 3.66769e-10 3.625009e-10 3.5803690000000003e-10 3.5335800000000004e-10 3.484426e-10 3.432654e-10 3.3779690000000006e-10 3.320025e-10 3.2584080000000003e-10 3.19262e-10 3.1220560000000005e-10 3.045968e-10 2.9634160000000003e-10 2.8732000000000005e-10 2.773749e-10 2.662956e-10 2.537895e-10 2.394342e-10 2.2258610000000003e-10 2.0219399999999998e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.62681 1.98447 2.3589 2.65418 2.8964 3.09975 3.27304 3.42215 3.55127 3.66349 3.7612 3.84625 3.92015 3.98411 4.03916 4.08615 4.12581 4.15869 4.18489 4.20595 4.22177 4.23268 4.23901 4.24107 4.23888 4.23185 4.21918 4.19995 4.17304 4.13715 4.09072 4.03189 3.95843 3.86761 3.75612 3.61993 3.45401 3.25212 3.00643 2.70697 2.34095 1.89175 1.33746 0.648768 -0.214268 -1.30716 -2.70892 -4.53504 -6.95995 -10.2574 -14.8782 -21.6098 -31.939 -48.9799 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.60643696995754e-19 3.17947146487398e-19 3.7793744619426e-19 4.25246517843012e-19 4.6405444027176e-19 4.966347021241499e-19 5.24398821014736e-19 5.482888768043099e-19 5.68976181502518e-19 5.869558076892659e-19 6.0261067558008e-19 6.1623718785225e-19 6.280772731775099e-19 6.383247949285739e-19 6.47144777298744e-19 6.5467340530190995e-19 6.61027637832354e-19 6.66295594604946e-19 6.7049329738602595e-19 6.738674813772299e-19 6.76402124812218e-19 6.781500995199119e-19 6.79164277329234e-19 6.794943257158379e-19 6.79143449032992e-19 6.780171188592899e-19 6.759871610640119e-19 6.7290617539683e-19 6.68594718074736e-19 6.6284450613531e-19 6.5540560002364795e-19 6.459799948858259e-19 6.34210405332462e-19 6.19659437142474e-19 6.01796769850008e-19 5.79976726271562e-19 5.533934115602339e-19 5.21047067496408e-19 4.81683189775662e-19 4.33704408293898e-19 3.7506153913622994e-19 3.0309176473695e-19 2.14284716090964e-19 1.039440930486912e-19 -3.4329518301391195e-20 -2.09430120889944e-19 -4.340168327375279e-19 -7.26593512225536e-19 -1.11510692638083e-18 -1.6434166605591599e-18 -2.38375043959788e-18 -3.46227166254132e-18 -5.117191951332599e-18 -7.84744513156566e-18 ] } }