{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0077833 3.2421622 -0.658799 ] [ 4.1390471 -4.3822715 -1.3951176 ] [ 0.281043 2.5232967 5.4518624 ] [ 6.4274902 4.6418504 1.7451062 ] [ -2.7989999 3.9686944 -7.1021307 ] [ -4.2647628 -4.3543974 1.3164642 ] [ -3.7760343 -5.6393349 0.6426145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.247022129267264e-11 5.194516477681494e-09 -1.055512355606419e-09 ] [ 6.631484496010039e-09 -7.021172943298147e-09 -2.235224801986606e-09 ] [ 4.502805240394944e-10 4.042766980081791e-09 8.734846477098579e-09 ] [ 1.029797452886112e-08 7.437064188131129e-09 2.795968354453129e-09 ] [ -4.484492201401538e-09 6.358549382779884e-09 -1.137886776540594e-08 ] [ -6.832903251417546e-09 -6.976513711952306e-09 2.109208163360175e-09 ] [ -6.049873874798894e-09 -9.035210533641505e-09 1.029581928087082e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.542512 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.053667528770345e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.932862 2.5991013 3.575408 ] [ 2.2678873 4.6953177 3.337223 ] [ 3.1784312 3.6237971 1.6296529 ] [ 4.7659709 2.2766434 2.3787504 ] [ 4.8994017 2.4622705 4.5789271 ] [ 5.3064559 4.1608157 1.3536572 ] [ 4.42291 4.2407024 3.3697966 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.932862e-10 2.5991013e-10 3.575408e-10 ] [ 2.2678873e-10 4.695317700000001e-10 3.337223e-10 ] [ 3.1784312e-10 3.6237971e-10 1.6296529e-10 ] [ 4.765970900000001e-10 2.2766434e-10 2.3787504e-10 ] [ 4.8994017e-10 2.4622705e-10 4.5789271e-10 ] [ 5.3064559e-10 4.1608157e-10 1.3536572e-10 ] [ 4.42291e-10 4.2407024e-10 3.3697966e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.84e-05 -2.71e-05 2.4e-06 ] [ -5.71e-05 2.03e-05 2.39e-05 ] [ 8.55e-05 6.33e-05 0.0001099 ] [ 9.72e-05 -2.26e-05 -4.18e-05 ] [ -4.5e-05 -6.8e-06 5.4e-05 ] [ -2.17e-05 -1.73e-05 -9.44e-05 ] [ -1.06e-05 -9.8e-06 -5.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.754534844671999e-14 -4.341898642368e-14 3.84522388992e-15 ] [ -9.148428504768e-14 3.252418540224e-14 3.829202123712e-14 ] [ 1.369861010784e-13 1.0141778009664e-13 1.7607921062592e-13 ] [ 1.5573156754176e-13 -3.620919163008e-14 -6.697098274944e-14 ] [ -7.209794793600001e-14 -1.089480102144e-14 8.65175375232e-14 ] [ -3.476723267136e-14 -2.771765553984e-14 -1.5124547300352e-13 ] [ -1.698307218048e-14 -1.570133088384e-14 -8.65175375232e-14 ] ] } "relaxed-potential-energy" { "source-value" -49.432602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.919975922971133e-18 } }