{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6136317 0.272403 0.5113261 ] [ 1.058649 2.716721 0.3297698 ] [ 0.0311528 1.744123 2.343307 ] [ 2.175185 1.227279 1.696033 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.136317e-11 2.72403e-11 5.113261e-11 ] [ 1.058649e-10 2.716721e-10 3.297698e-11 ] [ 3.11528e-12 1.744123e-10 2.343307e-10 ] [ 2.175185e-10 1.227279e-10 1.696033e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5888533 -8.7178838 -7.5036273 ] [ -0.8963711 6.784803 -5.267524 ] [ -6.9308486 2.1751939 6.0886743 ] [ 14.416073 -0.2421131 6.682477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.055650671514093e-08 -1.396758960721106e-08 -1.202213623125663e-08 ] [ -1.436144819980779e-09 1.08704527433337e-08 -8.4395038023029e-09 ] [ -1.110444358922441e-08 3.485044812286773e-09 9.755131615125806e-09 ] [ 2.309709512434612e-08 -3.879079484094125e-10 1.070650841843372e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8242625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.127143969302161e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7165832 -0.3677772 0.2369631 ] [ 1.437106 3.1836891 0.0386743 ] [ -0.0721079 1.8029007 3.0365192 ] [ 1.7970371 1.3417135 1.5682792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.165832e-11 -3.677772e-11 2.369631e-11 ] [ 1.437106e-10 3.1836891e-10 3.867430000000001e-12 ] [ -7.210790000000001e-12 1.8029007e-10 3.0365192e-10 ] [ 1.7970371e-10 1.3417135e-10 1.5682792e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.81e-05 5.45e-05 3.45e-05 ] [ -1.26e-05 -6.2e-06 1.2e-06 ] [ 1.24e-05 -4.3e-06 -2.74e-05 ] [ -1.79e-05 -4.39e-05 -8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.899939683648e-14 8.731862583360001e-14 5.52750934176e-14 ] [ -2.018742542208e-14 -9.93349504896e-15 1.92261194496e-15 ] [ 1.986699009792e-14 -6.889359469440001e-15 -4.389963940992e-14 ] [ -2.867896151232001e-14 -7.033555365312e-14 -1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.1265651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.462236923142922e-18 } }