{ "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" [ [ 12.117061599999998 -10.068124699999998 19.817677999999997 ] [ -1.0558292999999999 -2.6960150999999994 0.35753889999999994 ] [ -0.8398898999999999 -8.349803099999999 -2.1885130999999998 ] [ 7.7506851999999995 0.40248649999999997 2.3149203999999997 ] [ -2.7014556999999995 4.441489799999999 3.3011234999999997 ] [ -14.161572799999998 14.981286899999999 -15.209214599999997 ] [ -0.6363442999999999 -0.14521369999999997 -1.3133063999999999 ] [ -0.47265479999999993 1.4338935999999998 -7.080226799999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.941367280831344e-08 -1.613091400963901e-08 3.17514203701425e-08 ] [ -1.691625020015629e-09 -4.319492362543773e-09 5.72840466606549e-10 ] [ -1.34565196182605e-09 -1.337785931510336e-08 -3.506384523134532e-09 ] [ 1.241796662262057e-08 6.448544604876192e-10 3.708911343892984e-09 ] [ -4.328209164666898e-09 7.116051119081667e-09 5.288982894073468e-09 ] [ -2.268934085391719e-08 2.40026676206773e-08 -2.436784805285002e-08 ] [ -1.019535960239341e-09 -2.326579951598649e-10 -2.104148810027013e-09 ] [ -7.572764702688998e-10 2.297350802634746e-09 -1.13437738489216e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.741215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.765067934718627e-18 } }