{ "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" [ [ 2.561149 2.354583 1.277193 ] [ 2.183709 4.435975 3.101892 ] [ 4.282438 5.412611 2.58259 ] [ 3.622423 4.256941 0.4406492 ] [ 4.442586 3.119258 2.322412 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.561149e-10 2.354583e-10 1.277193e-10 ] [ 2.183709e-10 4.435975e-10 3.101892e-10 ] [ 4.282438e-10 5.412611e-10 2.58259e-10 ] [ 3.622423e-10 4.256941000000001e-10 4.406492e-11 ] [ 4.442586e-10 3.119258e-10 2.322412e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.7922808 -9.4602327 -3.1667135 ] [ -14.2811688 5.4802836 12.4324484 ] [ 4.0802534 10.5301412 4.6153307 ] [ 1.8125084 6.2906254 -21.3715707 ] [ 16.1806877 -12.8408175 7.4905051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.248461012046872e-08 -1.515696365926766e-08 -5.073634334471742e-09 ] [ -2.288095476905839e-08 8.780382259273658e-09 1.991897816578237e-08 ] [ 6.537286604419712e-09 1.687114604436285e-08 7.394574944800499e-09 ] [ 2.903958583483615e-09 1.007869294609065e-08 -3.424103092531429e-08 ] [ 2.592431954140612e-08 -2.05732575904595e-08 1.200111214920317e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.5976413 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.764056780884519e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5717824 2.5517712 1.4441263 ] [ 1.9057569 4.4287992 3.1052767 ] [ 4.2651566 5.2799749 2.4457498 ] [ 3.4920351 4.5554134 0.0785872 ] [ 4.857574 2.7634093 2.6509961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5717824e-10 2.5517712e-10 1.4441263e-10 ] [ 1.9057569e-10 4.4287992e-10 3.1052767e-10 ] [ 4.2651566e-10 5.2799749e-10 2.4457498e-10 ] [ 3.4920351e-10 4.5554134e-10 7.85872e-12 ] [ 4.857574e-10 2.7634093e-10 2.6509961e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-05 -2.32e-05 1.68e-05 ] [ -5.2e-06 5.2e-06 -9.3e-06 ] [ -5.5e-06 2.36e-05 2.98e-05 ] [ 2.91e-05 -1.07e-05 -1.5e-06 ] [ 2.27e-05 5.1e-06 -3.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.56892414528e-14 -3.717049760256e-14 2.691656722944e-14 ] [ -8.33131842816e-15 8.33131842816e-15 -1.490024257344e-14 ] [ -8.8119714144e-15 3.781136825088e-14 4.774486329984001e-14 ] [ 4.662333966527999e-14 -1.714328984256e-14 -2.4032649312e-15 ] [ 3.636940929216e-14 8.17110076608e-15 -5.719770536256001e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.8977283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.425573226049053e-18 } }