{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6737854 -0.3334693 -4.0012261 ] [ -8.5572236 -3.2099496 6.9537328 ] [ 3.4208059 2.1272627 -6.02324 ] [ -4.8713931 6.734168 -4.2222135 ] [ 0.0866123 -1.7108347 3.7953415 ] [ -3.959916 -2.0705815 5.4443302 ] [ 12.2434975 1.5466547 -3.0892327 ] [ -0.0361683 -3.0832503 1.1425077 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.681699836116377e-09 -5.342767162145415e-10 -6.410670911954764e-09 ] [ -1.371018359087801e-08 -5.142906203066311e-09 1.114110811945012e-08 ] [ 5.480735237274703e-09 3.408250564239885e-09 -9.650294309467393e-09 ] [ -7.804832135546436e-09 1.07893265301395e-08 -6.76473175772614e-09 ] [ 1.387682021337159e-10 -2.741059358393382e-09 6.080807419252003e-09 ] [ -6.344484835531853e-09 -3.317437270760995e-09 8.722778562355388e-09 ] [ 1.961624545132325e-08 2.478014000790437e-09 -4.94949640815086e-09 ] [ -5.794800467408064e-11 -4.939911546734586e-09 1.83049912602398e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.060376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.296856150205742e-18 } }