{ "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" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.4204667 -8.5656048 -20.7110101 ] [ 1.268306 -11.7578648 16.8733164 ] [ -11.7228452 17.5949097 8.908309 ] [ 20.510983 -9.0733775 3.4756257 ] [ 14.4271131 10.0479429 -11.2775828 ] [ 0.9369098 1.7539946 2.7313418 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.072807743656493e-08 -1.372361175357226e-08 -3.318269617537267e-08 ] [ 2.032050221220365e-09 -1.883817609308727e-08 2.703403305144122e-08 ] [ -1.87820685086975e-08 2.819015296642714e-08 1.427268441066223e-08 ] [ 3.286221743222625e-08 -1.453715330219275e-08 5.568566239191635e-09 ] [ 2.311478331445741e-08 1.609857920151335e-08 -1.80686795012962e-08 ] [ 1.501094977358404e-09 2.810209141129448e-09 4.376091975373789e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.7359729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.781335194722376e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.4096245 0.9400038 1.8659222 ] [ 1.0397655 -0.7218473 1.8869255 ] [ -0.2872617 3.1013901 1.4713108 ] [ 3.023515 -0.032836 1.2261942 ] [ 3.3611967 2.1486619 1.1596415 ] [ 2.8332421 3.9887838 2.242347 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.096245e-11 9.400038e-11 1.8659222e-10 ] [ 1.0397655e-10 -7.218472999999999e-11 1.8869255e-10 ] [ -2.872617e-11 3.1013901e-10 1.4713108e-10 ] [ 3.023515e-10 -3.2836e-12 1.2261942e-10 ] [ 3.3611967e-10 2.1486619e-10 1.1596415e-10 ] [ 2.8332421e-10 3.9887838e-10 2.242347e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0043077 -0.2753528 0.0904847 ] [ -0.4839804 0.0116255 -0.0159591 ] [ -0.2071182 0.0995711 0.0207484 ] [ 0.4647895 0.8430708 -0.0971324 ] [ 0.1740909 -0.8728471 0.0328428 ] [ 0.0479105 0.1939324 -0.0309844 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.90169622942016e-12 -4.411638186318183e-10 1.449724708801018e-10 ] [ -7.754220818054323e-10 1.86261043051104e-11 -2.556929690900928e-11 ] [ -3.318399377821785e-10 1.595304885273389e-10 3.324260139900672e-11 ] [ 7.446748704933217e-10 1.350748325439153e-09 -1.556232604021939e-10 ] [ 2.789243698740307e-10 -1.39845521715308e-09 5.261996632161023e-11 ] [ 7.67610829908384e-11 3.107139572956339e-10 -4.964248128951552e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.020617 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.086132814579103e-18 } }