{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.27251 5.852228 5.591754 5.402506 5.25378 5.131246 5.027046 4.936401 4.856187 4.784249 4.719038 4.659402 4.604463 4.553535 4.506072 4.461632 4.419853 4.380435 4.343124 4.307707 4.274 4.241847 4.21111 4.18167 4.161628 4.140534 4.118273 4.094707 4.069674 4.042979 4.014385 3.983601 3.950264 3.913913 3.873946 3.829565 3.779673 3.722702 3.656309 3.576746 3.477461 3.34534 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.27251e-10 5.852228e-10 5.591754e-10 5.402506e-10 5.25378e-10 5.131246e-10 5.027046e-10 4.936401e-10 4.856187e-10 4.784249e-10 4.719038000000001e-10 4.659402e-10 4.604463e-10 4.553535e-10 4.506072e-10 4.4616319999999997e-10 4.419853e-10 4.3804350000000005e-10 4.3431240000000006e-10 4.3077069999999997e-10 4.274e-10 4.2418470000000003e-10 4.2111099999999996e-10 4.1816700000000004e-10 4.1616280000000005e-10 4.140534e-10 4.1182730000000003e-10 4.094707e-10 4.0696740000000004e-10 4.042979e-10 4.014385e-10 3.9836010000000004e-10 3.950264e-10 3.9139130000000003e-10 3.873946e-10 3.829565e-10 3.779673e-10 3.722702e-10 3.656309e-10 3.5767460000000004e-10 3.477461e-10 3.34534e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 2.50898 3.00865 3.28487 3.51694 3.71479 3.88511 4.03266 4.16094 4.27265 4.36993 4.45446 4.52764 4.59064 4.64442 4.68981 4.72754 4.75821 4.78236 4.80048 4.81298 4.82024 4.82259 4.82146 4.81774 4.81084 4.79998 4.78419 4.76217 4.73223 4.69204 4.63842 4.56695 4.47111 4.34116 4.16192 3.90841 3.53692 2.9638 2.00846 0.201325 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 4.01982913117332e-19 4.820388729884099e-19 5.26294195972758e-19 5.63475909117996e-19 5.951749738216859e-19 6.22463246251974e-19 6.46103362486644e-19 6.666560843475959e-19 6.845539995260099e-19 7.001399738215619e-19 7.13683172908764e-19 7.25407901516376e-19 7.355016143105759e-19 7.44118120248228e-19 7.513903999899539e-19 7.57435412430036e-19 7.62349288166514e-19 7.662185447376239e-19 7.69121688798432e-19 7.711244095909319e-19 7.72287589827216e-19 7.72664101336206e-19 7.72483055376564e-19 7.718870456687159e-19 7.70781543791256e-19 7.690415799667319e-19 7.665117430616459e-19 7.62983750113578e-19 7.58186833271382e-19 7.51747685379336e-19 7.43156814267828e-19 7.3170605786463e-19 7.16350797004374e-19 6.95530511645544e-19 6.66813097657728e-19 6.26196317809194e-19 5.666770580327279e-19 4.7485311078492e-19 3.2179076823236397e-19 3.2255821084005e-20 ] } }