{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.1927478e-10 -1.7523775e-10 -1.4814324e-10 ] [ -1.1083893e-10 -1.4895857e-10 8.480636900000001e-10 ] [ -2.4077203e-10 7.7826268e-10 4.968126e-10 ] [ 6.7327272e-10 3.948143e-11 -4.0347834e-10 ] [ 7.889246400000001e-10 -3.9677404e-10 4.888807e-10 ] [ 7.891878e-11 8.4242116e-10 -4.4853427e-10 ] ] "source-value" [ [ -3.1927478 -1.7523775 -1.4814324 ] [ -1.1083893 -1.4895857 8.4806369 ] [ -2.4077203 7.7826268 4.968126 ] [ 6.7327272 0.3948143 -4.0347834 ] [ 7.8892464 -3.9677404 4.888807 ] [ 0.7891878 8.4242116 -4.4853427 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 0.0 0.0 0.0 ] [ -3.2043532416e-16 -3.2043532416e-16 3.2043532416e-16 ] [ -1.6021766208e-16 4.8065298624e-16 3.2043532416e-16 ] [ 3.2043532416e-16 -3.2043532416e-16 -6.408706483200001e-16 ] [ 3.2043532416e-16 -3.2043532416e-16 4.8065298624e-16 ] [ -3.2043532416e-16 6.408706483200001e-16 -4.8065298624e-16 ] ] "source-value" [ [ 0.0 0.0 0.0 ] [ -2e-07 -2e-07 2e-07 ] [ -1e-07 3e-07 2e-07 ] [ 2e-07 -2e-07 -4e-07 ] [ 2e-07 -2e-07 3e-07 ] [ -2e-07 4e-07 -3e-07 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 6.247052149344129e-31 "source-value" 3.8991033e-12 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.710480263474092e-08 -1.722633578378125e-08 -1.492863570664317e-08 ] [ -1.4217605904316e-08 -7.659095266200551e-09 3.518559271014797e-08 ] [ -1.663657312770581e-08 2.376069985782696e-08 1.377497064667564e-08 ] [ 2.298502399124479e-08 7.842824389537805e-10 -2.309309240649437e-08 ] [ 3.479041472510402e-08 -2.831670280943298e-08 1.298603244267948e-08 ] [ 1.835429504139168e-10 2.865715140241637e-08 -2.392486752614788e-08 ] ] "source-value" [ [ -16.9174873 -10.7518332 -9.3177216 ] [ -8.8739317 -4.7804313 21.9611198 ] [ -10.3837323 14.8302625 8.5976605 ] [ 14.3461237 0.4895106 -14.4135747 ] [ 21.7144691 -17.6738959 8.105244 ] [ 0.1145585 17.8863872 -14.9327279 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.227225454554276e-17 "source-value" 139.01248 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.566283e-11 5.933374e-11 8.739195e-11 ] [ 1.297564e-10 9.258578e-11 2.544594e-10 ] [ 4.571517e-11 2.983075e-10 2.098516e-10 ] [ 2.386894e-10 1.49419e-10 7.409215999999999e-11 ] [ 2.718839e-10 4.423949e-11 1.931638e-10 ] [ 1.685227e-10 2.953094e-10 1.464224e-11 ] ] "source-value" [ [ 0.1566283 0.5933374 0.8739195 ] [ 1.297564 0.9258578 2.544594 ] [ 0.4571517 2.983075 2.098516 ] [ 2.386894 1.49419 0.7409216 ] [ 2.718839 0.4423949 1.931638 ] [ 1.685227 2.953094 0.1464224 ] ] } "instance-id" 1 }