{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7312949999999998 -2.5121813999999993 11.375478899999997 ] [ 1.7992374999999998 -2.0302990999999997 -1.1941765999999998 ] [ -2.5417319999999997 -4.691435599999999 -0.7659232999999999 ] [ 9.036312699999998 -0.5940172999999999 -0.8537718999999999 ] [ -2.6686950999999994 3.1762416999999994 3.2660443999999997 ] [ -4.229614699999999 3.1104825999999997 -7.032500099999999 ] [ -2.5176884999999998 2.5968929999999997 1.9294751999999997 ] [ -0.6091148999999999 0.9443160999999999 -6.724626599999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.773840372707936e-09 -4.024958306288612e-09 1.82255263439837e-08 ] [ 2.88269625776664e-09 -3.252897751251281e-09 -1.913281829626433e-09 ] [ -4.072303586739225e-09 -7.51650843630882e-09 -1.227144404585984e-09 ] [ 1.447776894617812e-08 -9.517206304107396e-10 -1.367893377675995e-09 ] [ -4.275720897263517e-09 5.088900193750047e-09 5.232779980174763e-09 ] [ -6.776589787332004e-09 4.983542501125197e-09 -1.126730724599366e-08 ] [ -4.033781653157021e-09 4.160681251319174e-09 3.091360055853404e-09 ] [ -9.759096521609298e-10 1.512961178065035e-09 -1.077403952212979e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.065702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.214879862433981e-18 } }