{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -42.9348626 -8.5704083 -10.6188858 ] [ -15.6440703 0.8698335 21.5355817 ] [ -12.1609979 -62.6201019 -92.1864091 ] [ 48.3403671 46.1203672 52.2840786 ] [ 16.8959055 -9.3265666 36.8770897 ] [ 5.5036582 33.5268761 -7.8914551 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.87892330749803e-08 -1.373130780897027e-08 -1.70133305677051e-08 ] [ -2.506456368881164e-08 1.393626897688637e-09 3.450380551506832e-08 ] [ -1.94840665209779e-08 -1.003284632562937e-07 -1.476989094155244e-07 ] [ 7.74498060085095e-08 7.389297407055116e-08 8.376832837298959e-08 ] [ 2.707022477934614e-08 -1.494280695885415e-08 5.908361096048448e-08 ] [ 8.817832496914212e-09 5.371597705587829e-08 -1.264350486531293e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 47.215111 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.564694699267691e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0605444 -0.4962579 1.0495831 ] [ 0.3956128 -0.0496033 3.1991404 ] [ 1.6790763 0.1935876 -0.185743 ] [ 3.2114322 1.0643254 1.2005725 ] [ 2.4173657 0.9158 3.2923612 ] [ 3.5508814 3.2188859 0.6811408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.05444e-12 -4.962579e-11 1.0495831e-10 ] [ 3.956128e-11 -4.960330000000001e-12 3.1991404e-10 ] [ 1.6790763e-10 1.935876e-11 -1.85743e-11 ] [ 3.2114322e-10 1.0643254e-10 1.2005725e-10 ] [ 2.4173657e-10 9.158e-11 3.2923612e-10 ] [ 3.5508814e-10 3.2188859e-10 6.811408e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.3e-05 6.43e-05 -1.65e-05 ] [ -2.22e-05 7.7e-06 1.46e-05 ] [ -1.35e-05 -4.93e-05 -3.84e-05 ] [ 1.29e-05 2.07e-05 2.67e-05 ] [ 3.77e-05 -9e-06 -4e-07 ] [ -5.8e-05 -3.45e-05 1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.889359469439999e-14 1.0301995671744e-13 -2.64359142432e-14 ] [ -3.556832098176e-14 1.233675998016e-14 2.339177866368e-14 ] [ -2.16293843808e-14 -7.898730740544e-14 -6.152358223872e-14 ] [ 2.066807840832e-14 3.316505605055999e-14 4.277811577536e-14 ] [ 6.040205860416e-14 -1.44195895872e-14 -6.408706483200001e-16 ] [ -9.29262440064e-14 -5.52750934176e-14 2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.762499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.724342427918338e-18 } }