{ "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" [ [ 1.3826368 1.4580077 -3.1108503 ] [ -2.0408115 -1.9612697 0.7260517 ] [ 0.1156879 0.1344146 0.5831414 ] [ 0.1970257 0.7930957 0.4915577 ] [ -0.0374439 -0.6602131 1.3903811 ] [ -0.0376747 -0.4281237 1.7809572 ] [ 0.9931496 0.9906413 -3.1144518 ] [ -0.57257 -0.3265529 1.253213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.215228374268531e-09 2.335985869132082e-09 -4.98413166253189e-09 ] [ -3.26974049969849e-09 -3.142300486312189e-09 1.163263068815978e-09 ] [ 1.853524502165286e-10 2.153559313884564e-10 9.342955253980476e-10 ] [ 3.156699728374938e-10 1.270679399065874e-09 7.875622612027817e-10 ] [ -5.99917416658326e-11 -1.057778002280705e-09 2.227636110775217e-09 ] [ -6.036152403295979e-11 -6.859297886016258e-10 2.853408011994064e-09 ] [ 1.591201083186446e-09 1.587182343535384e-09 -4.989901901679241e-09 ] [ -9.173582753293799e-10 -5.231954261449385e-10 2.007868586025042e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.992475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.766630244482914e-18 } }