{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5174448 -2.6767775 -3.3798253 ] [ -3.6751321 0.8953465 -1.1910857 ] [ -0.5341422 1.9497773 2.370523 ] [ -0.083673 -0.9993991 0.530752 ] [ 3.3698981 -1.4245579 0.6409386 ] [ 2.4280954 2.958265 1.0105987 ] [ 0.0123987 -0.7026543 0.0180986 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.431214601944803e-09 -4.288670364916935e-09 -5.415077122662039e-09 ] [ -5.888210777483351e-09 1.434503241633681e-09 -1.908329677631534e-09 ] [ -8.557901520733547e-10 3.123887631563608e-09 3.797996560959582e-09 ] [ -1.34058925496682e-10 -1.601213886060629e-09 8.503584528487679e-10 ] [ 5.399171994780995e-09 -2.282393381160109e-09 1.026896848748672e-09 ] [ 3.890237715002883e-09 4.739663060180009e-09 1.619157623490776e-09 ] [ 1.98649074319758e-11 -1.125776301239626e-09 2.899715402811239e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -19.774853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.16828074173848e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5421896 2.6220363 1.2987849 ] [ 1.1287652 1.7446207 3.083772 ] [ 1.999727 4.0131256 3.3054 ] [ 4.4997443 1.2480441 1.8026742 ] [ 3.3598555 1.3656519 3.9496388 ] [ 4.4213379 3.4991527 2.7575411 ] [ 3.6170056 3.5117586 5.0680121 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5421896e-10 2.6220363e-10 1.2987849e-10 ] [ 1.1287652e-10 1.7446207e-10 3.083772e-10 ] [ 1.999727e-10 4.013125600000001e-10 3.3054e-10 ] [ 4.4997443e-10 1.2480441e-10 1.8026742e-10 ] [ 3.3598555e-10 1.3656519e-10 3.9496388e-10 ] [ 4.4213379e-10 3.4991527e-10 2.7575411e-10 ] [ 3.6170056e-10 3.5117586e-10 5.0680121e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.97e-05 -2.87e-05 -3.54e-05 ] [ -3.8e-05 -2.75e-05 1.44e-05 ] [ 2.5e-05 7.4e-06 2.98e-05 ] [ -1.21e-05 4.18e-05 1.3e-06 ] [ -6.8e-06 6.22e-05 5.2e-06 ] [ -7.1e-06 -2.73e-05 -1.09e-05 ] [ -7e-07 -2.78e-05 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.36064123698e-14 -4.598246939579999e-14 -5.671705284359999e-14 ] [ -6.088271209199999e-14 -4.4059857435e-14 2.30713435296e-14 ] [ 4.005441585e-14 1.18561070916e-14 4.77448636932e-14 ] [ -1.93863372714e-14 6.697098330119999e-14 2.0828296242e-15 ] [ -1.08948011112e-14 9.965538663479998e-14 8.331318496799998e-15 ] [ -1.13754541014e-14 -4.37394221082e-14 -1.74637253106e-14 ] [ -1.1215236438e-15 -4.454051042519999e-14 -6.8893595262e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.221889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.560339131914162e-18 } }