{ "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" [ "Pb" "Pb" ] } "a" { "source-value" [ 5.94429 5.546001 5.299157 5.119812 4.978868 4.862746 4.763999 4.678097 4.602081 4.533907 4.472108 4.415593 4.363529 4.315266 4.270287 4.228172 4.18858 4.151224 4.115865 4.082301 4.050359 4.019888 3.99076 3.96286 3.943867 3.923877 3.90278 3.880448 3.856724 3.831426 3.804328 3.775155 3.743562 3.709113 3.671238 3.629179 3.581897 3.527907 3.464988 3.389588 3.295498 3.17029 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.94429e-10 5.546001000000001e-10 5.299157e-10 5.119812e-10 4.978868e-10 4.862745999999999e-10 4.763999e-10 4.678097000000001e-10 4.602081e-10 4.5339070000000004e-10 4.4721080000000005e-10 4.4155930000000006e-10 4.363529e-10 4.3152660000000006e-10 4.2702869999999997e-10 4.228172e-10 4.18858e-10 4.151224e-10 4.1158650000000004e-10 4.0823010000000003e-10 4.050359e-10 4.019888e-10 3.99076e-10 3.96286e-10 3.943867e-10 3.923877e-10 3.90278e-10 3.880448e-10 3.856724e-10 3.8314260000000004e-10 3.804328e-10 3.775155e-10 3.743562e-10 3.709113e-10 3.671238e-10 3.6291790000000003e-10 3.5818970000000004e-10 3.527907e-10 3.464988e-10 3.389588e-10 3.295498e-10 3.1702900000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.315784 0.538118 0.724286 0.884875 1.02435 1.14743 1.25778 1.35769 1.4485 1.53107 1.60599 1.6736 1.73407 1.78749 1.83403 1.87393 1.90759 1.93542 1.95789 1.97544 1.98851 1.99749 2.00268 2.00436 2.00356 2.00094 1.99614 1.98869 1.97803 1.96343 1.94384 1.91761 1.8826 1.8357 1.77232 1.68546 1.56407 1.39001 1.13156 0.728291 0.0498474 -1.24444 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.059417420227072e-20 8.621600788316545e-20 1.1604340959727488e-19 1.4177260373304e-19 1.6411896215164804e-19 1.8383855200045441e-19 2.015185710109824e-19 2.175259176293952e-19 2.3207528352288e-19 2.453044558808256e-19 2.573079631238592e-19 2.68140279257088e-19 2.778286412830656e-19 2.863874687913792e-19 2.938439987845824e-19 3.0023668350157443e-19 3.056296100071872e-19 3.100884675428736e-19 3.136885584098112e-19 3.1650037837931523e-19 3.185944232227008e-19 3.200331778281792e-19 3.208647074943744e-19 3.2113387316666886e-19 3.210056990370048e-19 3.205859287623552e-19 3.1981688398437125e-19 3.186232624018752e-19 3.169153421241024e-19 3.145761642577344e-19 3.1143750025758723e-19 3.072349909812288e-19 3.01625770631808e-19 2.9411156228025604e-19 2.839569668576256e-19 2.700404607293568e-19 2.505916387294656e-19 2.227041524678208e-19 1.8129589770324479e-19 1.1668508133390528e-19 7.986433888766593e-21 -1.993812673988352e-19 ] } }