{ "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" [ [ 2.0288524999999997 -0.6965651999999999 5.802563499999999 ] [ -1.9133793999999997 -1.2967319999999998 0.21507789999999996 ] [ 0.9124014999999999 -3.8573969999999997 -2.0617596999999996 ] [ 3.9897131999999997 -1.2683379999999997 2.1925193999999997 ] [ -1.5765365999999998 2.4334684999999996 0.5488632999999999 ] [ -3.6773546999999995 3.5594060999999995 -0.13263689999999997 ] [ -0.7502334999999999 -0.8825807999999999 -2.8870703999999994 ] [ 0.9865370999999998 2.0087383999999995 -3.6775570999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.250580069332484e-09 -1.116020487497537e-09 9.296731657001257e-09 ] [ -3.065571766656939e-09 -2.077593710960088e-09 3.445927858697885e-10 ] [ 1.461828364126551e-09 -6.180231341461697e-09 -3.303303216262849e-09 ] [ 6.392225265401369e-09 -2.032101507614292e-09 3.512803352271698e-09 ] [ -2.525890103165804e-09 3.898846370275028e-09 8.793759545201319e-10 ] [ -5.891771775270079e-09 5.702797284337066e-09 -2.125077419861945e-10 ] [ -1.202006583744039e-09 -1.414050335377027e-09 -4.625596735593032e-09 ] [ 1.580606690194121e-09 3.218353728298545e-09 -5.8920960558208e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.400014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.191054537207287e-18 } }