{ "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" [ [ 1.201304 1.645112 1.368441 ] [ 2.96083 0.196256 2.000233 ] [ 1.817638 2.196428 3.68098 ] [ 1.740873 3.89811 0.9150282 ] [ 4.00836 2.276208 0.7214657 ] [ 3.949621 2.27126 3.236775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.201304e-10 1.645112e-10 1.368441e-10 ] [ 2.96083e-10 1.96256e-11 2.000233e-10 ] [ 1.817638e-10 2.196428e-10 3.68098e-10 ] [ 1.740873e-10 3.89811e-10 9.150282e-11 ] [ 4.00836e-10 2.276208e-10 7.214657e-11 ] [ 3.949621e-10 2.27126e-10 3.236775e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.0533565 5.4795332 3.1685174 ] [ -10.2456546 8.3579675 -3.6690301 ] [ -0.8395446 -0.532864 -2.1320785 ] [ -3.2504813 -13.3210274 2.6615465 ] [ 0.0 0.0 0.0 ] [ 0.2823241 0.0163907 -0.0289554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.251595922806772e-08 8.77917998593741e-09 5.076524500878002e-09 ] [ -1.641534826491198e-08 1.339094012590623e-08 -5.878434247231486e-09 ] [ -1.345098730238888e-09 -8.537422428659713e-10 -3.415966326410333e-09 ] [ -5.207845145207591e-09 -2.134263866531621e-08 4.264267577472067e-09 ] [ 0.0 0.0 0.0 ] [ 4.523330725084013e-10 2.626079633854656e-11 -4.639166492591232e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2520304 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.414680318610872e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.470276 1.9974545 1.2162419 ] [ 1.9931526 0.0425903 2.1178903 ] [ 1.8349912 2.2172915 3.8013925 ] [ 0.9139637 3.5524461 1.0679108 ] [ 4.5036964 2.3972644 0.4629386 ] [ 3.9625461 2.2763272 3.2565488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.470276e-10 1.9974545e-10 1.2162419e-10 ] [ 1.9931526e-10 4.25903e-12 2.1178903e-10 ] [ 1.8349912e-10 2.2172915e-10 3.8013925e-10 ] [ 9.139637000000001e-11 3.5524461e-10 1.0679108e-10 ] [ 4.5036964e-10 2.3972644e-10 4.629386e-11 ] [ 3.9625461e-10 2.2763272e-10 3.2565488e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.26e-05 -3.37e-05 -1.7e-05 ] [ -1.91e-05 -7.7e-05 3.86e-05 ] [ 5.79e-05 1.6e-06 -1.48e-05 ] [ -3.4e-05 7.95e-05 -1.8e-05 ] [ -1.95e-05 3.13e-05 -3.5e-06 ] [ -5.79e-05 -1.6e-06 1.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1631802267008e-13 -5.399335212096e-14 -2.72370025536e-14 ] [ -3.060157345728e-14 -1.233675998016e-13 6.184401756288e-14 ] [ 9.276602634432e-14 2.56348259328e-15 -2.371221398784e-14 ] [ -5.44740051072e-14 1.273730413536e-13 -2.88391791744e-14 ] [ -3.12424441056e-14 5.014812823104e-14 -5.6076181728e-15 ] [ -9.276602634432e-14 -2.56348259328e-15 2.371221398784e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.396077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.66563515174366e-18 } }