{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9378502 -5.6437307 -7.0066122 ] [ -3.0504262 -5.7707416 6.2292696 ] [ 3.6403571 4.3506479 -1.0726461 ] [ -0.0462596 7.5918486 3.5245796 ] [ 4.9025247 -2.6869425 -7.0210108 ] [ 7.5579752 3.3979459 3.621602 ] [ -2.066321 -1.2390277 1.7248179 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.752436787225261e-08 -9.04225338163122e-09 -1.122583025785206e-08 ] [ -4.887321541115785e-09 -9.245747276197985e-09 9.980390117780169e-09 ] [ 5.832495036983288e-09 6.970506350712617e-09 -1.718568503812299e-09 ] [ -7.411604960755969e-11 1.216348233557321e-08 5.646999033268616e-09 ] [ 7.854710457234534e-09 -4.304956454933904e-09 -1.124889935814431e-08 ] [ 1.21092111660262e-08 5.444109479723215e-09 5.802446054242522e-09 ] [ -3.310611197268077e-09 -1.985141213463597e-09 2.763462914517352e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.10413 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.769011272323904e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1778491 2.0816395 2.4268357 ] [ 1.9737029 1.2958538 4.7145337 ] [ 2.5888347 4.3390817 2.1692649 ] [ 2.0581088 4.1168659 4.4497693 ] [ 3.6444331 1.2284741 2.3580141 ] [ 4.6563919 2.759402 4.5685965 ] [ 4.9357476 3.828119 2.5401068 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1778491e-10 2.0816395e-10 2.4268357e-10 ] [ 1.9737029e-10 1.2958538e-10 4.7145337e-10 ] [ 2.5888347e-10 4.339081700000001e-10 2.1692649e-10 ] [ 2.0581088e-10 4.1168659e-10 4.4497693e-10 ] [ 3.6444331e-10 1.2284741e-10 2.3580141e-10 ] [ 4.6563919e-10 2.759402e-10 4.5685965e-10 ] [ 4.9357476e-10 3.828119e-10 2.5401068e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.4519416 -4.1537463 1.4443144 ] [ -0.647949 -0.8698412 -1.2240434 ] [ 2.8146919 2.6005614 1.4840663 ] [ -0.2257981 1.9651324 -1.3021887 ] [ -2.3501639 -1.8375279 -1.7160167 ] [ 1.5979106 2.1316659 -0.566687 ] [ -0.7367499 0.1637557 1.8805553 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.240902654869453e-10 -6.655035210594503e-09 2.31404676476478e-09 ] [ -1.038128739270739e-09 -1.393639234448617e-09 -1.961133718324543e-09 ] [ 4.509633556935131e-09 4.166558676034918e-09 2.377736329577159e-09 ] [ -3.617684368410605e-10 3.148489188056594e-09 -2.086336291009945e-09 ] [ -3.765377655628149e-09 -2.94404424144772e-09 -2.749361837642367e-09 ] [ 2.560135005448501e-09 3.41530526833659e-09 -9.079326627112896e-10 ] [ -1.180403465156738e-09 2.623655540627386e-10 3.01298173578153e-09 ] ] } "relaxed-potential-energy" { "source-value" -13.189499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.113190693786498e-18 } }