{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.49393e-10 0.0 0.0 ] "source-value" [ 5.49393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] "source-value" [ 0.002595 5.45604 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] "source-value" [ -0.0698117 0.0748179 5.57684 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.148762058903838e-09 -1.396151767825356e-09 -4.802306204392248e-09 ] [ -5.874849857695432e-09 -4.002150681220877e-10 5.664285557701076e-09 ] [ 1.78518604639919e-09 8.247829004450113e-10 -5.204366659546172e-09 ] [ -5.655191442983753e-09 5.509492064570794e-09 -1.621692093347316e-09 ] [ 1.026428524062023e-09 -2.020968125751953e-09 4.152404086460797e-09 ] [ -2.077876958669783e-09 -4.87271898295849e-10 5.354245315674488e-09 ] [ 8.760079316917219e-09 -6.562763776173024e-10 -5.182966386422146e-09 ] [ -1.125378471509645e-10 -1.373391567185595e-09 1.640396383871522e-09 ] ] "source-value" [ [ 1.3411518 -0.8714094 -2.9973638 ] [ -3.6667929 -0.2497946 3.535369 ] [ 1.1142255 0.514789 -3.2483102 ] [ -3.5296929 3.4387545 -1.0121806 ] [ 0.6406463 -1.2613891 2.5917268 ] [ -1.2969088 -0.3041312 3.3418571 ] [ 5.4676115 -0.4096155 -3.2349532 ] [ -0.0702406 -0.8572036 1.0238549 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.536304650537544e-18 "source-value" -34.554896 } }