{ "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" [ [ 1.0051178 1.1859652 -2.7095244 ] [ -1.5812848 -1.5925686 0.5141876 ] [ 0.1546514 0.1406388 0.6110719 ] [ 0.0815254 0.7762754 0.5113572 ] [ 0.0870446 -0.5280456 1.2001268 ] [ -0.0001664 -0.5305635 1.7079101 ] [ 0.6901079 0.7071004 -2.7455242 ] [ -0.4369959 -0.158802 0.910395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.61037624030993e-09 1.900125716522396e-09 -4.341136647167147e-09 ] [ -2.533497537386404e-09 -2.551576177940187e-09 8.23819351425262e-10 ] [ 2.477788574539891e-10 2.253281973373671e-10 9.790451118078355e-10 ] [ 1.306180898813683e-10 1.243730297182168e-09 8.192845507177497e-10 ] [ 1.394608230868877e-10 -8.460223150363085e-10 1.922815100955518e-09 ] [ -2.6660218970112e-13 -8.500564355498207e-10 2.73637363264819e-09 ] [ 1.105674743209384e-09 1.132899729438328e-09 -4.398814685080624e-09 ] [ -7.001446143654547e-10 -2.544288517362816e-10 1.458613584693216e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.895406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.751078028732405e-18 } }