{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 49.6111473 -17.9396005 -51.3663785 ] [ -66.1315014 40.9564158 81.6807078 ] [ -33.0665915 -24.3148637 28.3640161 ] [ 11.9936534 -20.6368381 -58.4364022 ] [ 11.4248176 24.8815692 23.1247119 ] [ 14.8385331 -25.4339007 -44.9764353 ] [ 11.3299416 22.487218 21.6097803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.948582033512505e-08 -2.8742408507592e-08 -8.229801072786377e-08 ] [ -1.059543454414825e-07 6.561941186652374e-08 1.308669204075562e-07 ] [ -5.297851983084401e-08 -3.895670615807859e-08 4.54441634674148e-08 ] [ 1.921595107545843e-08 -3.306385953105469e-08 -9.36254374085057e-08 ] [ 1.830457565562437e-08 3.986466846105736e-08 3.704987276891555e-08 ] [ 2.377395081978695e-08 -4.074960107728876e-08 -7.206019312458383e-08 ] [ 1.815256754654935e-08 3.602849494643293e-08 3.462268477728441e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 34.197276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.479007610224494e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4234565 1.227211 1.2985631 ] [ 1.2810484 3.056744 3.1545595 ] [ 2.3894857 1.4370551 5.0916263 ] [ 2.7251916 3.9533165 0.4653199 ] [ 4.5174227 3.300941 5.6135522 ] [ 4.5237763 1.3980954 3.0860758 ] [ 3.7490367 4.53212 3.1223492 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4234565e-10 1.227211e-10 1.2985631e-10 ] [ 1.2810484e-10 3.056744e-10 3.1545595e-10 ] [ 2.3894857e-10 1.4370551e-10 5.0916263e-10 ] [ 2.7251916e-10 3.9533165e-10 4.653199e-11 ] [ 4.5174227e-10 3.300941e-10 5.6135522e-10 ] [ 4.5237763e-10 1.3980954e-10 3.0860758e-10 ] [ 3.7490367e-10 4.53212e-10 3.1223492e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 4.3e-05 -4.11e-05 ] [ 1.96e-05 2.12e-05 -1.38e-05 ] [ 5.4e-06 -5e-07 1.63e-05 ] [ -5.53e-05 -3.56e-05 -6.5e-06 ] [ -2.43e-05 -1.12e-05 -3.88e-05 ] [ 2.14e-05 1.09e-05 5.42e-05 ] [ 2.67e-05 -2.77e-05 2.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 6.889359469439999e-14 -6.584945911488e-14 ] [ 3.140266176767999e-14 3.396614436096001e-14 -2.211003736704e-14 ] [ 8.65175375232e-15 -8.010883104e-16 2.611547891904e-14 ] [ -8.860036713024e-14 -5.703748770048e-14 -1.04141480352e-14 ] [ -3.893289188544e-14 -1.794437815296e-14 -6.216445288704e-14 ] [ 3.428657968511999e-14 1.746372516672e-14 8.683797284736e-14 ] [ 4.277811577536e-14 -4.438029239616e-14 4.774486329984001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.470818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.959351276665182e-18 } }