{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45158e-10 0.0 0.0 ] "source-value" [ 5.45158 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] "source-value" [ -0.0257054 5.42445 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] "source-value" [ -0.0529382 0.0294769 5.34001 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.275316708439533e-10 -4.441787945968397e-10 3.865053709520318e-09 ] [ -1.202232160309166e-09 2.271778782025483e-09 -3.183512929204944e-09 ] [ -1.014490706060442e-09 -1.451743451343226e-10 -9.934259287208121e-10 ] [ 1.642030283589414e-09 -2.55262784667408e-10 1.111902563952096e-09 ] [ 2.724585938595978e-09 -1.947935788410703e-09 9.294883469675328e-10 ] [ -1.13518219025232e-09 2.18935736925102e-09 -1.403138379415678e-09 ] [ -3.071692376527112e-09 -3.787066320543919e-09 -2.577322996018781e-09 ] [ 1.829449540119694e-09 2.118482202512014e-09 2.250955452702606e-09 ] ] "source-value" [ [ 0.1420141 -0.2772346 2.4123768 ] [ -0.7503743 1.4179328 -1.9869925 ] [ -0.6331953 -0.0906107 -0.6200477 ] [ 1.0248747 -0.1593225 0.693995 ] [ 1.7005528 -1.2158059 0.580141 ] [ -0.708525 1.3664894 -0.8757701 ] [ -1.9171996 -2.3637009 -1.6086385 ] [ 1.1418526 1.3222526 1.4049359 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.809542254713708e-18 "source-value" -36.260311 } }