{ "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" [ "Ne" "Ne" ] } "a" { "source-value" [ 5.07287 4.732968 4.522311 4.369257 4.248975 4.149876 4.065605 3.992296 3.927423 3.869244 3.816504 3.768274 3.723843 3.682655 3.644269 3.608329 3.57454 3.54266 3.512485 3.483842 3.456582 3.430578 3.40572 3.38191 3.357839 3.333035 3.307449 3.281033 3.253729 3.225477 3.196208 3.165846 3.134306 3.101493 3.0673 3.031606 2.994273 2.955144 2.914035 2.870738 2.825005 2.776546 2.725015 2.669996 2.610983 2.54735 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.07287e-10 4.732968e-10 4.5223110000000004e-10 4.3692570000000004e-10 4.248975e-10 4.149876e-10 4.065605e-10 3.992296e-10 3.9274230000000004e-10 3.8692440000000005e-10 3.8165040000000005e-10 3.768274e-10 3.7238430000000004e-10 3.682655e-10 3.644269e-10 3.608329e-10 3.5745399999999997e-10 3.54266e-10 3.512485e-10 3.4838420000000004e-10 3.456582e-10 3.430578e-10 3.40572e-10 3.38191e-10 3.357839e-10 3.333035e-10 3.307449e-10 3.281033e-10 3.253729e-10 3.2254770000000003e-10 3.1962080000000003e-10 3.165846e-10 3.134306e-10 3.101493e-10 3.0673e-10 3.031606e-10 2.9942730000000004e-10 2.9551440000000005e-10 2.9140350000000003e-10 2.870738e-10 2.825005e-10 2.7765460000000004e-10 2.725015e-10 2.669996e-10 2.6109830000000004e-10 2.54735e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00419365 0.00622861 0.00801586 0.00964975 0.011168 0.0125902 0.0139274 0.015185 0.0163669 0.0174758 0.0185134 0.0194794 0.0203744 0.0211977 0.0219491 0.0226271 0.0232306 0.0237586 0.0242095 0.0245825 0.0248757 0.0250872 0.0252154 0.0252585 0.0252098 0.0250472 0.0247404 0.0242512 0.0235311 0.0225175 0.0211301 0.0192635 0.0167788 0.0134927 0.00915854 0.00344102 -0.00412114 -0.0141701 -0.0276184 -0.0457823 -0.0706031 -0.105006 -0.153518 -0.223361 -0.326451 -0.483277 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.7189680411741e-22 9.97933340429874e-22 1.284282359341524e-21 1.54606039739415e-21 1.7893108648512e-21 2.01717242573868e-21 2.23141548523716e-21 2.432905218729e-21 2.62226647510146e-21 2.7999318420457196e-21 2.9661736895895596e-21 3.12094395243396e-21 3.26433876117696e-21 3.39624596345418e-21 3.51663351573294e-21 3.62526109151814e-21 3.72195245138004e-21 3.80654737765524e-21 3.8787895220823e-21 3.9385507105305e-21 3.9855265294393796e-21 4.01941256524848e-21 4.0399524696963595e-21 4.0468578509889e-21 4.03905525078132e-21 4.01300385871248e-21 3.9638490795813595e-21 3.88547059864608e-21 3.7700978592317395e-21 3.6077012356095e-21 3.3854152494083397e-21 3.0863529589058998e-21 2.68826013065592e-21 2.1617688669571798e-21 1.4673598789554359e-21 5.513121841126679e-22 -6.602794213442759e-22 -2.2703003121443397e-21 -4.4249555148465596e-21 -7.335133131077819e-21 -1.131186371079654e-20 -1.68238159629804e-20 -2.4596295249841196e-20 -3.57863775146874e-20 -5.23032164345934e-20 -7.742951171496179e-20 ] } }