{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.60798 8.96421 8.565227 8.275344 8.047532 7.85984 7.700231 7.561385 7.438517 7.328325 7.228437 7.13709 7.052937 6.974928 6.902225 6.834154 6.770159 6.709779 6.652628 6.598378 6.546748 6.497497 6.450415 6.40532 6.359731 6.312751 6.264292 6.21426 6.162547 6.109038 6.053602 5.996096 5.93636 5.874213 5.809452 5.741848 5.67114 5.597029 5.519171 5.437166 5.350548 5.258767 5.161168 5.056963 4.945193 4.824673 4.693915 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.60798e-10 8.96421e-10 8.565227000000001e-10 8.275344000000001e-10 8.047532e-10 7.85984e-10 7.700231e-10 7.561385e-10 7.438517e-10 7.328325000000001e-10 7.228437e-10 7.13709e-10 7.052937e-10 6.974928e-10 6.902225e-10 6.834154e-10 6.770158999999999e-10 6.709779e-10 6.652628e-10 6.598378000000001e-10 6.546748000000001e-10 6.497497000000001e-10 6.450414999999999e-10 6.40532e-10 6.359731e-10 6.312751e-10 6.264292e-10 6.214260000000001e-10 6.162547000000001e-10 6.109038e-10 6.053602e-10 5.996095999999999e-10 5.93636e-10 5.874213e-10 5.809452000000001e-10 5.741848000000001e-10 5.671140000000001e-10 5.597029e-10 5.519171e-10 5.437166e-10 5.350548e-10 5.258767e-10 5.161168e-10 5.056963e-10 4.945192999999999e-10 4.824673e-10 4.693914999999999e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.266445 0.398533 0.506918 0.599945 0.681539 0.75398 0.818756 0.876913 0.929226 0.976296 1.0186 1.05651 1.09037 1.12043 1.14693 1.17007 1.19003 1.20696 1.22099 1.23224 1.24084 1.24687 1.25043 1.2516 1.25033 1.24617 1.23857 1.22681 1.21005 1.18728 1.15722 1.11832 1.06866 1.00583 0.926796 0.827727 0.703701 0.548361 0.353396 0.107808 -0.203155 -0.599584 -1.10932 -1.77171 -2.64361 -3.8093 -5.39764 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2689195324613e-20 6.38520260477922e-20 8.121721749540119e-20 9.612178606851299e-20 1.091945860959726e-19 1.2080091385033199e-19 1.311791732147304e-19 1.404969518650842e-19 1.488784184905284e-19 1.564198639067664e-19 1.6319771193923998e-19 1.69271563558734e-19 1.74696533641458e-19 1.79512676603262e-19 1.83758444683362e-19 1.8746588141443798e-19 1.9066382597590197e-19 1.93376311017264e-19 1.95624164834766e-19 1.97426613548016e-19 1.9880448545325598e-19 1.9977059796355798e-19 2.0034097284526198e-19 2.0052842751143999e-19 2.0032495107892198e-19 1.9965844559917798e-19 1.9844079135733797e-19 1.96556631635754e-19 1.9387138359717e-19 1.9022322740155196e-19 1.8540708443974796e-19 1.7917461733348798e-19 1.7121820816904399e-19 1.6115173237762198e-19 1.4848908956846638e-19 1.326164858730918e-19 1.127453299522434e-19 8.785711811968739e-20 5.66202813749064e-20 1.72727458558272e-20 -3.2549019408027e-20 -9.60639474920256e-20 -1.77732658362888e-19 -2.8385923642241397e-19 -4.2355301714087394e-19 -6.1031714518962e-19 -8.647972686743759e-19 ] } }