{ "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" [ [ 2.0066000999999996 -2.1059514999999998 3.2944662999999994 ] [ -0.35730829999999997 -0.8348245999999999 0.31613379999999996 ] [ 0.37447939999999996 -3.2131934999999996 -1.8581572999999998 ] [ 2.4047702999999996 0.11954269999999999 1.2548120999999999 ] [ -1.0152084999999997 1.1249665999999998 0.7829953999999999 ] [ -2.7790608999999997 3.6971214999999997 -1.2427915999999999 ] [ -0.39325439999999995 -0.31067749999999994 -0.8947807999999999 ] [ -0.24101759999999997 1.5230162999999999 -1.6526778999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.214927767514941e-09 -3.374106257838691e-09 5.278316883873478e-09 ] [ -5.724710046777926e-10 -1.337536456588712e-09 5.065021834046629e-10 ] [ 5.999821396512114e-10 -5.148103503806524e-09 -2.977096183828851e-09 ] [ 3.852866753054202e-09 1.915285191273081e-10 2.010430610116951e-09 ] [ -1.626543323937436e-09 1.802395185700865e-09 1.254496924073944e-09 ] [ -4.452546401759406e-09 5.923441631557027e-09 -1.991171646046625e-09 ] [ -6.300630057067315e-10 -4.97760227108592e-10 -1.433596878500721e-09 ] [ -3.86152763921326e-10 2.440141108957319e-09 -2.64788189309284e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.459756 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.521061542167253e-18 } }