{ "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" [ [ 0.8721031 1.6468901 -4.3749467 ] [ -1.8215431 -1.7450903 0.3862562 ] [ 0.2002911 0.1738516 0.6692659 ] [ 0.0467469 1.3124762 0.9123484 ] [ -0.1302805 -0.8249331 1.7525627 ] [ 0.4127386 -1.1101909 2.9254734 ] [ 0.8234878 0.5569004 -3.4004555 ] [ -0.4035439 -0.009904099999999999 1.1294956 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.397263209258965e-09 2.638608836985923e-09 -7.009437377735407e-09 ] [ -2.918433792643925e-09 -2.79594290288005e-09 6.188506583776307e-10 ] [ 3.209017204181573e-10 2.785409713035144e-10 1.07228218691298e-09 ] [ 7.489679089193459e-11 2.102818700321111e-09 1.461743288547285e-09 ] [ -2.08732372965837e-10 -1.321688537433185e-09 2.807915007559951e-09 ] [ 6.612801408698724e-10 -1.778721919259431e-09 4.687125124868534e-09 ] [ 1.319372911544065e-09 8.922528083452535e-10 -5.448130347056787e-09 ] [ -6.465486073732326e-10 -1.58681176007994e-11 1.80965145852581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.888331 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.749944536145785e-18 } }