{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.855692 -1.3716017 -2.2118792 ] [ -1.5510001 -1.466691 1.7847306 ] [ -3.2958599 5.6577604 -1.9382301 ] [ 1.7579025 0.2810333 -0.1863611 ] [ 2.4576651 -4.0359145 1.2683751 ] [ 0.5396293 -0.0103681 0.0701247 ] [ 1.9473552 0.9457816 1.21324 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.973146362300727e-09 -2.197548194894677e-09 -3.543821171470612e-09 ] [ -2.484976119551663e-09 -2.349898049498094e-09 2.8594536653048e-09 ] [ -5.280549720717575e-09 9.064731513650493e-09 -3.105386977535483e-09 ] [ 2.816470310350185e-09 4.502649866359121e-10 -2.985833999065374e-10 ] [ 3.937613597417273e-09 -6.466247908721792e-09 2.032160948367413e-09 ] [ 8.64581455481776e-10 -1.66115275589754e-11 1.123521558062598e-10 ] [ 3.120006999538397e-09 1.515309180387134e-09 1.94382477943416e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.531766005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.648680921319306e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4983085 2.0571822 1.6619987 ] [ 2.1026015 3.1996672 4.5888575 ] [ 2.0203279 4.141425 2.4969612 ] [ 4.8173297 2.6042222 1.7619986 ] [ 3.7277455 1.6724416 3.6915634 ] [ 4.2454361 4.6663147 2.5929112 ] [ 4.4216198 3.7467111 4.6888574 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4983085e-10 2.0571822e-10 1.6619987e-10 ] [ 2.1026015e-10 3.1996672e-10 4.5888575e-10 ] [ 2.0203279e-10 4.141425e-10 2.4969612e-10 ] [ 4.8173297e-10 2.6042222e-10 1.7619986e-10 ] [ 3.727745500000001e-10 1.6724416e-10 3.6915634e-10 ] [ 4.2454361e-10 4.6663147e-10 2.5929112e-10 ] [ 4.4216198e-10 3.7467111e-10 4.6888574e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.48e-05 -1.39e-05 6e-06 ] [ -8.4e-06 1.18e-05 1.1e-06 ] [ -1.32e-05 2.56e-05 5.8e-06 ] [ 3e-06 -4.4e-06 -6.2e-06 ] [ 2e-07 -1.19e-05 5e-07 ] [ -1.2e-05 9.8e-06 -9.7e-06 ] [ 5.7e-06 -1.71e-05 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.97339805232e-14 -2.22702552126e-14 9.613059803999999e-15 ] [ -1.34582837256e-14 1.89056842812e-14 1.7623942974e-15 ] [ -2.11487315688e-14 4.10157218304e-14 9.2926244772e-15 ] [ 4.806529901999999e-15 -7.0495771896e-15 -9.9334951308e-15 ] [ 3.204353268e-16 -1.90659019446e-14 8.010883169999999e-16 ] [ -1.9226119608e-14 1.57013310132e-14 -1.55411133498e-14 ] [ 9.1324068138e-15 -2.73972204414e-14 4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }