{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9702967 -0.7226555 -0.7911062 ] [ 1.5329576 0.8511395 1.1012703 ] [ -0.6100626 1.2104029 -1.1071027 ] [ -0.5476746 0.0825731 0.1679776 ] [ -0.7371723 -0.6907438 -2.0703205 ] [ 1.578461 -0.4131447 -0.4818647 ] [ -0.7454766 0.473445 2.2924901 ] [ 0.4992644 -0.7910164 0.888656 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.554586687979391e-09 -1.157821746992534e-09 -1.267491858209929e-09 ] [ 2.456068827397678e-09 1.363675807939402e-09 1.764429527841402e-09 ] [ -9.77428034944462e-10 1.93927922812852e-09 -1.773774062764556e-09 ] [ -8.774714399259917e-10 1.322966903269805e-10 2.691297835380941e-10 ] [ -1.181080224561364e-09 -1.106693567322551e-09 -3.317019102662966e-09 ] [ 2.528973311044589e-09 -6.619307793474298e-10 -7.720323567288057e-10 ] [ -1.194385179873474e-09 7.58542510234656e-10 3.672974041635455e-09 ] [ 7.999097492777395e-10 -1.267347982749381e-09 1.423783867133645e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.995794240654234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.723026418430351e-18 } }