{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1814524 0.068373 -2.1291095 ] [ 1.658994 0.5028539 1.7249715 ] [ 0.509752 0.9831753 -0.9374675 ] [ -0.7588646 -0.9075332 0.3373257 ] [ -0.0659164 1.6307965 -0.8856165 ] [ -0.4992092 -1.0504929 1.7428734 ] [ -0.1951865 -0.6630258 -1.0964972 ] [ 0.531883 -0.5641469 1.2435201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.89289541386805e-09 1.095456220939584e-10 -3.411209464023178e-09 ] [ 2.658001400847475e-09 8.056607622581011e-10 2.763709008846307e-09 ] [ 8.167127368060416e-10 1.575220479808026e-09 -1.501988511259824e-09 ] [ -1.215835120472744e-09 -1.454028475639811e-09 5.404553501349946e-10 ] [ -1.056097150073011e-10 2.612824025582467e-09 -1.418914051294723e-09 ] [ -7.998213091282713e-10 -1.683075164696392e-09 2.792391014494207e-09 ] [ -3.127232469957793e-10 -1.062284435747217e-09 -1.756782178612662e-09 ] [ 8.521705076009664e-10 -9.038629738767955e-10 1.992338831714878e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.494914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.648218109290662e-18 } }