{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0658011 -0.0478458 -0.1966237 ] [ -0.9244372 -28.1948223 10.9026402 ] [ -6.8617932 21.3455016 -7.3907125 ] [ -19.5947842 -47.9443243 -43.809329 ] [ 22.8236591 32.3816854 41.9297966 ] [ 4.4915544 22.4598054 -1.4357717 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.054249840429229e-10 -7.665742216347265e-11 -3.15025895235193e-10 ] [ -1.481111669237814e-09 -4.517308511667048e-08 1.746795523343424e-08 ] [ -1.099380464180442e-08 3.419926362276899e-08 -1.184122677855432e-08 ] [ -3.139430513486123e-08 -7.681527549351333e-08 -7.019028269673543e-08 ] [ 3.656753301112917e-08 5.18811792899807e-08 6.717893982741933e-08 ] [ 7.196263450731372e-09 3.598457511959759e-08 -2.300359850546272e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.8012751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.570337381924918e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0295231 0.6199703 0.5322307 ] [ 0.7094097 0.4331838 3.0571588 ] [ 0.1089338 2.6807301 1.9805819 ] [ 2.2331427 -0.4652706 1.1223707 ] [ 3.1458448 1.1851757 2.7938287 ] [ 2.3458473 3.3794858 2.364428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.95231e-12 6.199703e-11 5.322307e-11 ] [ 7.094097000000001e-11 4.331838e-11 3.0571588e-10 ] [ 1.089338e-11 2.6807301e-10 1.9805819e-10 ] [ 2.2331427e-10 -4.652706e-11 1.1223707e-10 ] [ 3.1458448e-10 1.1851757e-10 2.7938287e-10 ] [ 2.3458473e-10 3.3794858e-10 2.364428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.62e-05 -1.05e-05 9.7e-06 ] [ -1.13e-05 -7.7e-06 -7.9e-06 ] [ 6.1e-06 -5.8e-06 -2.22e-05 ] [ 5.6e-06 2.48e-05 8.4e-06 ] [ 2.1e-05 -1.67e-05 8e-07 ] [ 4.8e-06 1.58e-05 1.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.197702746496e-14 -1.68228545184e-14 1.554111322176e-14 ] [ -1.810459581504e-14 -1.233675998016e-14 -1.265719530432e-14 ] [ 9.77327738688e-15 -9.292624400640001e-15 -3.556832098176e-14 ] [ 8.972189076479999e-15 3.973398019584e-14 1.345828361472e-14 ] [ 3.36457090368e-14 -2.675634956736e-14 1.28174129664e-15 ] [ 7.69044777984e-15 2.531439060864e-14 1.794437815296e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.047461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.250651359579979e-18 } }