{ "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" [ 5.45189 0 0 ] "si-unit" "m" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103872 5.48254 0 ] "si-unit" "m" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0133572 0.0848103 5.46172 ] "si-unit" "m" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5193035 -2.6940875 -2.9309097 ] [ 2.6457591 3.0464002 0.5086942 ] [ -0.5201206 0.1801387 -0.5578577 ] [ 0.7639456 0.2159015 2.156316 ] [ 0.2290942 -1.2564703 -2.0158145 ] [ -0.0215418 0.4074022 0.2016461 ] [ -1.3896749 -0.1540731 0.6072266 ] [ -0.1881581 0.2547883 2.0306991 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.434192547599613e-09 -4.31640400688952e-09 -4.695834999015942e-09 ] [ 4.238973374288849e-09 4.880871178040444e-09 8.150179543765593e-10 ] [ -8.333250653164685e-10 2.88614013641305e-10 -8.937865646732601e-10 ] [ 1.223975779883029e-09 3.459123356956512e-10 3.454799082256973e-09 ] [ 3.670493712008793e-10 -2.013087339389562e-09 -3.229690863769641e-09 ] [ -3.451376832994944e-11 6.527302801024858e-10 3.230726670954989e-10 ] [ -2.226504635292578e-09 -2.468523187141805e-10 9.728842620478732e-10 ] [ -3.014625088341485e-10 4.082158575133767e-10 3.253538621899602e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.081785 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.780939236373214e-18 } }