{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.28317 3.996182 3.818319 3.689092 3.587535 3.503863 3.432711 3.370815 3.316041 3.266918 3.222389 3.181667 3.144152 3.109376 3.076966 3.046621 3.018092 2.991175 2.965698 2.941514 2.918497 2.896542 2.875553 2.85545 2.841764 2.827361 2.812159 2.796067 2.778973 2.760744 2.741219 2.720198 2.697434 2.672611 2.64532 2.615015 2.580945 2.542043 2.496706 2.442376 2.374579 2.28436 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2831700000000005e-10 3.996182e-10 3.818319e-10 3.689092e-10 3.587535e-10 3.5038630000000003e-10 3.432711e-10 3.370815e-10 3.316041e-10 3.266918e-10 3.2223890000000003e-10 3.1816670000000003e-10 3.144152e-10 3.109376e-10 3.0769660000000004e-10 3.046621e-10 3.018092e-10 2.9911750000000003e-10 2.9656980000000003e-10 2.9415140000000005e-10 2.918497e-10 2.896542e-10 2.875553e-10 2.8554499999999997e-10 2.841764e-10 2.827361e-10 2.8121589999999997e-10 2.796067e-10 2.778973e-10 2.760744e-10 2.741219e-10 2.720198e-10 2.697434e-10 2.672611e-10 2.64532e-10 2.6150150000000004e-10 2.5809449999999997e-10 2.5420430000000004e-10 2.496706e-10 2.442376e-10 2.3745790000000003e-10 2.28436e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.00483 1.42018 1.7367 1.99544 2.21052 2.3939 2.55215 2.68976 2.8101 2.91636 3.01104 3.09383 3.16567 3.2283 3.28264 3.32914 3.36844 3.40119 3.42789 3.449 3.46488 3.47588 3.48228 3.48436 3.48336 3.48007 3.474 3.4645 3.45077 3.43176 3.40613 3.37209 3.32722 3.26811 3.18968 3.08461 2.94195 2.74421 2.46208 2.0434 1.37555 0.180627 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.609915133878464e-19 2.275379193327744e-19 2.78250013734336e-19 3.197047316209152e-19 3.541643463810816e-19 3.83545061253312e-19 4.0889950627747207e-19 4.3094705875630086e-19 4.50227652211008e-19 4.672523809836288e-19 4.824217892293632e-19 4.956862094729664e-19 5.071962463167936e-19 5.172306784928641e-19 5.259369062502912e-19 5.333870275370112e-19 5.396835816567553e-19 5.449307100898752e-19 5.492085216674112e-19 5.5259071651392e-19 5.551349729877504e-19 5.568973672706304e-19 5.579227603079424e-19 5.582560130450689e-19 5.580957953829888e-19 5.575686792747456e-19 5.5659615806592e-19 5.5507409027616e-19 5.528743017758016e-19 5.498285640196609e-19 5.457221853405504e-19 5.402683761233472e-19 5.330794096258176e-19 5.236089436202688e-19 5.1104307238333445e-19 4.942090026285888e-19 4.71352350956256e-19 4.396709104565568e-19 3.944687014539264e-19 3.2738877069427204e-19 2.20387405074144e-19 2.8939635648524165e-20 ] } }