{ "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" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.0388634 -29.3855082 -34.5557299 ] [ -2.8707756 4.4694059 -2.9016346 ] [ 57.8745016 -34.259093 1.519709 ] [ -36.4053003 42.8373284 35.376044 ] [ 9.4404377 16.3378669 0.5616115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.49232114132848e-08 -4.708077422836669e-08 -5.536438256045953e-08 ] [ -4.599489549883092e-09 7.160777641845582e-09 -4.648931118224359e-09 ] [ 9.272517340397219e-08 -5.488911785441293e-08 2.434842230219347e-09 ] [ -5.832772101386323e-08 6.863296606001187e-08 5.667867063319212e-08 ] [ 1.512524857305892e-08 2.617614838092217e-08 8.998008152724193e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 23.94182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.835902426340185e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1183235 0.0949514 1.284064 ] [ 0.3653181 2.6070568 0.8926068 ] [ 3.2646042 0.3711528 2.6160045 ] [ 1.2086692 1.7406273 3.2210692 ] [ 3.4713657 3.0067866 2.8202005 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1183235e-10 9.49514e-12 1.284064e-10 ] [ 3.653181e-11 2.6070568e-10 8.926068e-11 ] [ 3.2646042e-10 3.711528e-11 2.6160045e-10 ] [ 1.2086692e-10 1.7406273e-10 3.2210692e-10 ] [ 3.4713657e-10 3.0067866e-10 2.8202005e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.21e-05 1.87e-05 1.42e-05 ] [ 9e-07 -1.36e-05 6.9e-06 ] [ -2.7e-05 4.95e-05 -5.7e-06 ] [ 1.44e-05 -2e-07 -1.29e-05 ] [ -1.04e-05 -5.45e-05 -2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.540810331968e-14 2.996070280896e-14 2.275090801536e-14 ] [ 1.44195895872e-15 -2.178960204288e-14 1.105501868352e-14 ] [ -4.32587687616e-14 7.930774272959999e-14 -9.13240673856e-15 ] [ 2.307134333952e-14 -3.2043532416e-16 -2.066807840832e-14 ] [ -1.666263685632e-14 -8.731862583360001e-14 -3.84522388992e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.498488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.842260864814935e-18 } }