{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.040085 2.0177093 -7.722774 ] [ -7.0264602 -1.1749467 5.7090862 ] [ -1.3362509 -0.4667558 0.2654061 ] [ 2.3013781 -4.3600185 0.1161589 ] [ 5.930691 3.7007504 -5.1557067 ] [ -0.0620697 -2.0090276 4.6375976 ] [ 2.2327968 2.2922888 2.150232 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.26857651837389e-09 3.232726694664496e-09 -1.237324805246272e-08 ] [ -1.125763035217096e-08 -1.882472148935408e-09 9.14696451113185e-09 ] [ -2.14090996914147e-09 -7.478252365439771e-10 4.252274519410674e-10 ] [ 3.687214217819315e-09 -6.985519764507728e-09 1.861070754111426e-10 ] [ 9.502014543674093e-09 5.929255819146153e-09 -8.260352806497246e-09 ] [ -9.94466230193898e-11 -3.218817077781098e-09 7.430250512614479e-09 ] [ 3.577334861429971e-09 3.672651553739899e-09 3.445051468079088e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.468576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.157903776045318e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7316819 1.7124596 1.0231902 ] [ 1.627656 0.9616178 3.7444646 ] [ 1.9862684 3.2659158 2.8511737 ] [ 4.1815721 0.0804426 2.3558837 ] [ 5.2023001 2.395728 1.6342214 ] [ 3.952514 1.0437384 4.6625504 ] [ 4.2845985 3.3273725 3.7763791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7316819e-10 1.7124596e-10 1.0231902e-10 ] [ 1.627656e-10 9.616178e-11 3.7444646e-10 ] [ 1.9862684e-10 3.2659158e-10 2.8511737e-10 ] [ 4.181572100000001e-10 8.04426e-12 2.3558837e-10 ] [ 5.2023001e-10 2.395728e-10 1.6342214e-10 ] [ 3.952514e-10 1.0437384e-10 4.6625504e-10 ] [ 4.2845985e-10 3.3273725e-10 3.7763791e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0172882 0.0843903 -0.030409 ] [ -0.0165735 0.0523468 0.105705 ] [ 0.033308 -0.1117737 -0.0413481 ] [ 0.0356745 0.0006246 0.0196338 ] [ -0.0309786 0.0067546 0.0323926 ] [ -0.0365832 -0.0389067 -0.0490083 ] [ -0.0021354 0.0065642 -0.036966 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.76987500839188e-11 1.352081667962502e-10 -4.872058926330599e-11 ] [ -2.6553674443599e-11 8.386881982467118e-11 1.6935808109697e-10 ] [ 5.336529932527199e-11 -1.790812104357258e-10 -6.62469596802954e-11 ] [ 5.715685032963299e-11 1.0007195255964e-12 3.14568155966292e-11 ] [ -4.963318907403239e-11 1.08220622920164e-11 5.189866683450839e-11 ] [ -5.86127482369488e-11 -6.23354056460478e-11 -7.85199531320622e-11 ] [ -3.4212879842436e-12 1.05170078609028e-11 -5.9226061452444e-11 ] ] } "relaxed-potential-energy" { "source-value" -18.345534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.939278591305256e-18 } }