{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2510968 1.2503124 -2.7415566 ] [ -1.7579241 -1.6262228 0.5992238 ] [ 0.1788853 0.1871297 0.5904523 ] [ 0.08107 0.6939776 0.6518058 ] [ -0.0649035 -0.5693446 1.2164512 ] [ -0.0278461 -0.4686404 1.7110905 ] [ 0.8730732 0.7993869 -2.9677711 ] [ -0.5334516 -0.2665988 0.9403039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.004478059832171e-09 2.003221312480461e-09 -4.392457925308484e-09 ] [ -2.816504917365479e-09 -2.605496171838055e-09 9.600623708966891e-10 ] [ 2.866058478260801e-10 2.998148328674297e-10 9.46008878551558e-10 ] [ 1.2988845971838e-10 1.111874695239398e-09 1.044308022665677e-09 ] [ -1.03986871164819e-10 -9.121906148140762e-10 1.948969689041261e-09 ] [ -4.461437076802739e-11 -7.508446986284136e-10 2.741469217759377e-09 ] [ 1.398817480811609e-09 1.280759012705695e-09 -4.754893511480478e-09 ] [ -8.546836888899144e-10 -4.271383680124392e-10 1.506532937439072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.813908074190163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.135844034869141e-18 } }