{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7724480000000002 0.36962370000000005 1.1382871000000003 ] [ -1.0071174000000003 -0.6618469000000001 -0.18944110000000006 ] [ 1.1863951000000001 0.8886864000000002 -0.5413325000000001 ] [ -2.7107456000000005 -0.9352856000000003 0.6692563000000001 ] [ 2.5524700000000005 1.0718428000000002 -0.5535365000000001 ] [ -1.6221969000000005 0.21465740000000005 -1.0773670000000002 ] [ 0.5616786000000001 -0.5182643000000001 -0.4560763000000001 ] [ -1.7329318000000005 -0.4294137000000001 1.0102099000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.441951367983719e-09 5.922024506335931e-10 1.823736979378232e-09 ] [ -1.613579952680882e-09 -1.060395629728956e-09 -3.03518101438635e-10 ] [ 1.900814492251678e-09 1.423832573302918e-09 -8.673102755792162e-10 ] [ -4.34309322525647e-09 -1.498492722090901e-09 1.072266797183111e-09 ] [ 4.089507759293377e-09 1.717281475332811e-09 -8.868632390594594e-10 ] [ -2.599045947514237e-09 3.43919067761714e-10 -1.726132219421434e-09 ] [ 8.999083213236751e-10 -8.303509448552777e-10 -7.307147851609672e-10 ] [ -2.776462815400862e-09 -6.879965907912252e-10 1.618534683880706e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.483605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.845317897350199e-18 } }