{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.80222 4.480454 4.281036 4.136148 4.022283 3.928472 3.848697 3.7793 3.717888 3.662812 3.612887 3.56723 3.525169 3.486179 3.449841 3.415818 3.383832 3.353654 3.325088 3.297973 3.272168 3.247551 3.224019 3.20148 3.186136 3.169986 3.152943 3.134901 3.115735 3.095297 3.073405 3.049837 3.024314 2.996483 2.965885 2.931906 2.893708 2.850091 2.79926 2.738346 2.662333 2.56118 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.80222e-10 4.480454e-10 4.2810360000000006e-10 4.1361480000000006e-10 4.022283e-10 3.9284720000000003e-10 3.848697e-10 3.7793e-10 3.717888e-10 3.662812e-10 3.6128870000000005e-10 3.56723e-10 3.5251690000000003e-10 3.486179e-10 3.4498410000000005e-10 3.415818e-10 3.383832e-10 3.3536540000000003e-10 3.325088e-10 3.297973e-10 3.2721680000000005e-10 3.247551e-10 3.2240190000000003e-10 3.20148e-10 3.186136e-10 3.169986e-10 3.1529430000000003e-10 3.1349010000000005e-10 3.115735e-10 3.095297e-10 3.0734050000000005e-10 3.049837e-10 3.024314e-10 2.996483e-10 2.9658850000000005e-10 2.9319060000000003e-10 2.8937080000000005e-10 2.850091e-10 2.79926e-10 2.738346e-10 2.662333e-10 2.5611799999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.953837 1.28886 1.53934 1.74083 1.90897 2.05234 2.17637 2.28444 2.37909 2.46229 2.53545 2.59975 2.65616 2.70542 2.74815 2.78491 2.81615 2.84229 2.86367 2.8806 2.89341 2.90232 2.90753 2.90923 2.90841 2.90571 2.90071 2.89288 2.88157 2.86585 2.84453 2.81609 2.7784 2.72839 2.66172 2.57198 2.44927 2.27755 2.02928 1.65239 1.03745 -0.0921474 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5282153414540097e-19 2.064981359484288e-19 2.466294559462272e-19 2.7891171267872644e-19 3.0585071038085764e-19 3.2882111659326724e-19 3.4869291322104963e-19 3.660076359620352e-19 3.8117223767790725e-19 3.945023471629632e-19 4.0622387132073603e-19 4.1652586699248e-19 4.255637453104128e-19 4.3345606734447366e-19 4.40302168045152e-19 4.461917693032128e-19 4.51196969066592e-19 4.553850587533633e-19 4.588105123686336e-19 4.61522997387648e-19 4.635753856388928e-19 4.650029250080256e-19 4.658376590274625e-19 4.661100290529984e-19 4.659786505700928e-19 4.655460628824769e-19 4.647449745720769e-19 4.634904702779904e-19 4.616784085198656e-19 4.59159786871968e-19 4.557439463164224e-19 4.511873560068672e-19 4.45148752323072e-19 4.371362670424512e-19 4.264545555115776e-19 4.120766225165184e-19 3.924163132026816e-19 3.6490373627030406e-19 3.251264973057024e-19 2.6474206264437122e-19 1.6621781352489602e-19 -1.4763640994750593e-20 ] } }