{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 6.67047 6.223524 5.946525 5.74527 5.587108 5.4568 5.34599 5.249594 5.164291 5.087789 5.01844 4.955021 4.896597 4.842438 4.791963 4.744704 4.700274 4.658355 4.618677 4.581013 4.545168 4.510975 4.478288 4.44698 4.425666 4.403234 4.37956 4.354499 4.327877 4.299488 4.269079 4.236342 4.20089 4.162232 4.119729 4.072532 4.019474 3.958888 3.888282 3.80367 3.698085 3.55758 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.670470000000001e-10 6.223524000000001e-10 5.946525000000001e-10 5.74527e-10 5.587108e-10 5.4568e-10 5.34599e-10 5.249594e-10 5.164291000000001e-10 5.087789e-10 5.01844e-10 4.955021e-10 4.896597000000001e-10 4.842437999999999e-10 4.791963e-10 4.744703999999999e-10 4.700274000000001e-10 4.658355e-10 4.618677e-10 4.5810129999999995e-10 4.5451680000000006e-10 4.5109750000000005e-10 4.478288e-10 4.44698e-10 4.425666e-10 4.4032340000000003e-10 4.3795599999999997e-10 4.354499e-10 4.327877e-10 4.2994880000000003e-10 4.269079e-10 4.2363419999999996e-10 4.2008900000000004e-10 4.162232000000001e-10 4.1197290000000007e-10 4.072532e-10 4.019474e-10 3.958888e-10 3.888282e-10 3.8036700000000003e-10 3.698085e-10 3.5575800000000006e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 3.47623 4.69577 5.12327 5.28596 5.36904 5.43815 5.5149 5.60477 5.70735 5.8204 5.94127 6.06727 6.19572 6.32395 6.44935 6.56932 6.68147 6.78355 6.87355 6.94974 7.01065 7.05515 7.08232 7.09155 7.08703 7.07171 7.04265 6.99609 6.92715 6.82946 6.69458 6.51122 6.26386 5.93096 5.48109 4.87135 4.06343 3.01905 1.70955 0.155531 -1.43353 -2.10113 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.569534434523584e-19 7.523452910654017e-19 8.208383416046016e-19 8.469041530483969e-19 8.602150364140033e-19 8.71287679040352e-19 8.83584384604992e-19 8.979831458961216e-19 9.14418273672288e-19 9.325308803704321e-19 9.518963891860417e-19 9.720838146081217e-19 9.926637733022976e-19 1.013208484110816e-18 1.033299778935648e-18 1.0525210918553857e-18 1.0704895026576577e-18 1.086844521602784e-18 1.101264111189984e-18 1.1134710948638594e-18 1.123229952661152e-18 1.130359638623712e-18 1.1347127525024256e-18 1.136191561523424e-18 1.1354673776908224e-18 1.133012843107757e-18 1.128356917847712e-18 1.1208971835012672e-18 1.1098517778774722e-18 1.0942001144688768e-18 1.0725899562075265e-18 1.0432124456885375e-18 1.003581004796429e-18 9.502445450899968e-19 8.781674254500673e-19 7.80476308173408e-19 6.510332546257344e-19 4.83705132702624e-19 2.73900104208864e-19 2.4918813200964483e-20 -2.2967682512154243e-19 -3.366381363261504e-19 ] } }