{ "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" [ [ -12.2253462 -8.0719022 -19.1982127 ] [ 15.7023466 10.9838615 16.0478346 ] [ 8.7537431 11.9035813 -9.9962246 ] [ -8.1553119 -7.5254943 6.1361197 ] [ 2.8493476 11.1511692 -7.5130213 ] [ -8.5186756 -11.0133128 12.7402202 ] [ -3.0963659 -4.8726708 -6.0467379 ] [ 4.6902621 -2.555232 7.8300219 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.958716386282612e-08 -1.293261299022409e-08 -3.075892754908564e-08 ] [ 2.515793261421837e-08 1.759808610140522e-08 2.571146541058532e-08 ] [ 1.402504253930932e-08 1.907163966265207e-08 -1.601571735038583e-08 ] [ -1.306625006151203e-08 -1.205717102742366e-08 9.83114752577031e-09 ] [ 4.565158109252591e-09 1.786614258682504e-08 -1.203718707843242e-08 ] [ -1.364842288649941e-08 -1.764527228571739e-08 2.04120829482839e-08 ] [ -4.960925054422351e-09 -7.806879236614833e-09 -9.687942095485288e-09 ] [ 7.514628282044311e-09 -4.093932971120026e-09 1.254507802853199e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -32.168097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.153897294902662e-18 } }