{ "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" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -54.6791556 -34.0688432 -4.5881542 ] [ -29.4395347 -29.3296028 -48.9376238 ] [ -20.4303882 10.7738487 73.3330383 ] [ 4.0501851 -1.9987992 -10.2972238 ] [ 58.6455026 6.2893998 23.8521755 ] [ 41.853391 48.3339967 -33.3622121 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.76056647474054e-08 -5.458430407274106e-08 -7.351033391865328e-09 ] [ -4.716733422357034e-08 -4.699120390351021e-08 -7.840671672986564e-08 ] [ -3.273309032790819e-08 1.726160850317647e-08 1.17492479496491e-07 ] [ 6.48911187713251e-09 -3.202429347913744e-09 -1.649797123150533e-08 ] [ 9.396045318078562e-08 1.00767293184242e-08 3.821539794131855e-08 ] [ 6.705652456140114e-08 7.743959950256435e-08 -5.345215624479087e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 38.535087 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.174001547189401e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0700595 0.2633043 2.4641454 ] [ 0.7039874 1.651592 0.2528167 ] [ 0.3460029 2.6370737 2.6940425 ] [ 2.4804366 -0.0965473 0.2414718 ] [ 3.2537632 -0.9413675 2.4539451 ] [ 0.6189028 4.103879 0.6988471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0700595e-10 2.633043e-11 2.4641454e-10 ] [ 7.039874000000001e-11 1.651592e-10 2.528167e-11 ] [ 3.460029e-11 2.6370737e-10 2.6940425e-10 ] [ 2.4804366e-10 -9.65473e-12 2.414718e-11 ] [ 3.2537632e-10 -9.413675000000001e-11 2.4539451e-10 ] [ 6.189028e-11 4.103879e-10 6.988471000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 1.53e-05 -6.6e-06 ] [ 7.3e-06 -2.11e-05 -1.09e-05 ] [ -8.6e-06 7e-07 1.96e-05 ] [ -4.4e-06 2.3e-06 -6.4e-06 ] [ -7.8e-06 7.2e-06 1e-07 ] [ 7.1e-06 -4.4e-06 4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 2.451330229824e-14 -1.057436569728e-14 ] [ 1.169588933184e-14 -3.380592669888e-14 -1.746372516672e-14 ] [ -1.377871893888e-14 1.12152363456e-15 3.140266176767999e-14 ] [ -7.04957713152e-15 3.68500622784e-15 -1.025393037312e-14 ] [ -1.249697764224e-14 1.153567166976e-14 1.6021766208e-16 ] [ 1.137545400768e-14 -7.04957713152e-15 6.72914180736e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.113757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.101055487625235e-18 } }