{ "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" [ [ 57.38404009999999 -49.987075899999994 83.43419119999999 ] [ -5.879937399999999 -4.898904399999999 2.9869973999999995 ] [ -13.097607199999999 -35.90000799999999 0.6357102999999998 ] [ 32.01364949999999 16.054747799999998 13.851297099999998 ] [ -8.727031099999998 11.963507699999997 9.945339099999998 ] [ -64.21430139999998 55.43771129999999 -74.30960749999998 ] [ 1.1372583999999997 0.6096718999999999 -8.679668899999998 ] [ 1.3839290999999998 6.720349699999999 -27.864258799999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.19393674552697e-08 -8.00881243491351e-08 1.336763105159971e-07 ] [ -9.420698234047538e-09 -7.848910097214252e-09 4.785697400670385e-09 ] [ -2.098468004426175e-08 -5.751815350413296e-08 1.018520180261754e-09 ] [ 5.12915207753856e-08 2.572254157800023e-08 2.219222438137484e-08 ] [ -1.39822451974145e-08 1.916765233970078e-08 1.593418979194811e-08 ] [ -1.028826524240847e-07 8.882100495551996e-08 -1.190571158373243e-07 ] [ 1.822088820288414e-09 9.768020645387155e-10 -1.390636258786485e-08 ] [ 2.217298848864785e-09 1.076718717294029e-08 -4.464346400528066e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.119826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.781592524456398e-18 } }