{ "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" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.0057103 -19.2097172 14.0066808 ] [ -23.6826342 -12.3416958 -12.1321524 ] [ -7.9388899 23.4510641 18.7772846 ] [ 10.75155 -15.5209139 -9.7446119 ] [ 1.1693975 8.0879341 -18.6633368 ] [ 15.6948663 15.5333287 7.7561357 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.417855392357754e-09 -3.077735979001964e-08 2.244117651276824e-08 ] [ -3.794376283419851e-08 -1.977357647178556e-08 -1.943785093526261e-08 ] [ -1.271950379288525e-08 3.75727466339022e-08 3.008452638822788e-08 ] [ 1.722588204736224e-08 -2.486724538402975e-08 -1.561258936494947e-08 ] [ 1.873581334921968e-09 1.295829892559109e-08 -2.990196188707629e-08 ] [ 2.51459478524418e-08 2.488713608634166e-08 1.242669928629224e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 141.38342 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.265212100927472e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.8638898 -2.9483341 6.8605739 ] [ -4.8390938 -0.8889502 -0.3692579 ] [ -2.2591367 6.3532392 6.0256237 ] [ 5.8258557 -3.3704819 -2.3113731 ] [ 1.6671273 5.4287727 -4.6087829 ] [ 7.3951519 5.3679677 3.6123382 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8638898e-10 -2.9483341e-10 6.860573900000001e-10 ] [ -4.8390938e-10 -8.889502e-11 -3.692579e-11 ] [ -2.2591367e-10 6.3532392e-10 6.025623699999999e-10 ] [ 5.825855700000001e-10 -3.3704819e-10 -2.3113731e-10 ] [ 1.6671273e-10 5.4287727e-10 -4.6087829e-10 ] [ 7.3951519e-10 5.3679677e-10 3.6123382e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 0.0 ] [ -0.0 -0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 3.5527137e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.692074830535866e-34 } }