{ "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" [ [ -1.6678248 -0.2842729 -3.7480927 ] [ 2.9639744 1.0136036 3.0389232 ] [ 0.4512118 0.5788575 -2.0486884 ] [ -1.3646202 -1.4231512 0.3398411 ] [ -0.0103991 3.0293633 -1.4919608 ] [ -0.5793351 -1.4102146 3.5372804 ] [ -0.4024571 -0.7153467 -2.7178444 ] [ 0.60945 -0.7888391 3.0905416 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.672149902150436e-09 -4.554553943070163e-10 -6.005106496531148e-09 ] [ 4.748810488329708e-09 1.623971990678715e-09 4.868891703446722e-09 ] [ 7.229209969890855e-10 9.274319532747361e-10 -3.282360657784159e-09 ] [ -2.186362580711421e-09 -2.280139580503465e-09 5.444854652069549e-10 ] [ -1.666119489736128e-11 4.853575055169537e-09 -2.390384712910065e-09 ] [ -9.2819715282883e-10 -2.259412862430824e-09 5.667347958094073e-09 ] [ -6.448073564949677e-10 -1.146111758506431e-09 -4.354466756652204e-09 ] [ 9.764465415465601e-10 -1.263859563592913e-09 4.951593497129825e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.683039 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.717053084489461e-18 } }