{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.235296 0.1194615 1.060663 ] [ 0.5951279 1.958954 0.23753 ] [ 0.7849876 2.237774 2.150251 ] [ 2.634784 1.158802 0.6457174 ] [ 2.006718 1.111823 2.877883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.235296e-10 1.194615e-11 1.060663e-10 ] [ 5.951279e-11 1.958954e-10 2.3753e-11 ] [ 7.849876000000001e-11 2.237774e-10 2.150251e-10 ] [ 2.634784e-10 1.158802e-10 6.457174e-11 ] [ 2.006718e-10 1.111823e-10 2.877883e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.0414875 -36.8089809 -5.4562694 ] [ -9.9983101 7.1931412 -13.4977923 ] [ -13.2898056 28.0566553 12.0996476 ] [ 27.0717537 9.2728186 -17.4462213 ] [ 8.2578495 -7.7136341 24.3006353 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.929258975215544e-08 -5.897448863345375e-08 -8.741907269466444e-09 ] [ -1.601905868972851e-08 1.152468266075326e-08 -2.162584725547426e-08 ] [ -2.129261582729692e-08 4.495171717950441e-08 1.938577250463883e-08 ] [ 4.337373086219589e-08 1.485669316983939e-08 -2.795192788816299e-08 ] [ 1.323053340698497e-08 -1.235860421642565e-08 3.893390974824719e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.7430594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.599218881745676e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7256629 0.4313123 -0.5624421 ] [ 0.5018995 1.5790946 0.8638957 ] [ 0.3462872 2.432048 2.8860188 ] [ 3.5459155 -0.6734476 -1.1177319 ] [ 1.1371484 2.8178072 4.9023038 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7256629e-10 4.313123e-11 -5.624421e-11 ] [ 5.018995000000001e-11 1.5790946e-10 8.638957000000001e-11 ] [ 3.462872000000001e-11 2.432048e-10 2.8860188e-10 ] [ 3.5459155e-10 -6.734476e-11 -1.1177319e-10 ] [ 1.1371484e-10 2.8178072e-10 4.9023038e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0703887 0.0721788 0.0978369 ] [ 0.1353166 -0.1503381 -0.218708 ] [ -0.0315331 0.0466918 0.0814834 ] [ -0.0162597 -0.0131847 -0.0549717 ] [ -0.0171351 0.0446523 0.0943594 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12775129508505e-10 1.15643185877399e-10 1.567519938315475e-10 ] [ 2.168010929261453e-10 -2.408681890354925e-10 -3.504088443819264e-10 ] [ -5.052159560134849e-11 7.480851034306944e-11 1.305507984632947e-10 ] [ -2.605091120122176e-11 -2.112421809226176e-11 -8.807437254563137e-11 ] [ -2.745345661507008e-11 7.154087112494784e-11 1.511804246327155e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.119169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.781487261452412e-18 } }