{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9105434999999998 0.8320432999999999 -1.4840420999999997 ] [ 1.0479987999999998 -5.6500753999999995 1.0539829999999997 ] [ -0.0049388999999999995 4.1140783999999995 3.7509569999999997 ] [ 0.4345802999999999 -5.040576699999999 2.2558685999999994 ] [ 3.8484145999999995 -4.211645299999999 -5.4310770999999995 ] [ -0.8365649999999999 0.8501044999999999 1.7592078999999998 ] [ 1.6068611999999998 7.071498699999999 -8.748248099999998 ] [ -7.006894499999999 2.0345724999999995 6.843350899999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.458851507921404e-09 1.33308032275328e-09 -2.377697556902935e-09 ] [ 1.679079175986455e-09 -9.052418711637209e-09 1.688666921320646e-09 ] [ -7.91299011246912e-12 6.59148022861827e-09 6.009695611026105e-09 ] [ 6.962743965202501e-10 -8.075894144089215e-09 3.614299930516826e-09 ] [ 6.165839899265382e-09 -6.747799634762201e-09 -8.701544755382263e-09 ] [ -1.340324884779552e-09 1.362017555136874e-09 2.818561768506664e-09 ] [ 2.574475447510632e-09 1.132978989115759e-08 -1.401623857877802e-08 ] [ -1.12262825523121e-08 3.259744492822608e-09 1.096425681991064e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.097505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.739322278501111e-18 } }