{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1691671 -0.3951606 0.3134678 ] [ 0.4399014 -0.0096543 -0.1484796 ] [ 2.436324 0.0410753 -0.6715265 ] [ 1.999664 2.8527826 1.6343923 ] [ -3.169742 -1.4238844 -2.0500979 ] [ -1.9999777 -0.6967393 1.8093019 ] [ 0.1246631 -0.3684191 -0.887058 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.710355726285356e-10 -6.331170747813005e-10 5.022307805336103e-10 ] [ 7.047997385371891e-10 -1.546789375018944e-11 -2.378905437857357e-10 ] [ 3.903421353493939e-09 6.580988535234624e-11 -1.075904058547651e-09 ] [ 3.203814910255412e-09 4.570661585945038e-09 2.61858513227554e-09 ] [ -5.078486526367833e-09 -2.281314296401836e-09 -3.284618925731176e-09 ] [ -3.204317513061356e-09 -1.116299417252557e-09 2.898821204149019e-09 ] [ 1.997323042964525e-10 -5.902724686761774e-10 -1.421223588893606e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.531419085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.206666358035111e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7669212 2.1025835 4.2012981 ] [ 2.5466535 3.9334596 3.0643054 ] [ 5.2205933 1.3640003 3.0704621 ] [ 4.6811374 3.4769966 2.3654163 ] [ 3.0074574 1.7347431 2.1497174 ] [ 3.4194988 0.5145567 4.2050761 ] [ 4.0464664 2.8218872 4.6129027 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7669212e-10 2.1025835e-10 4.2012981e-10 ] [ 2.5466535e-10 3.9334596e-10 3.0643054e-10 ] [ 5.2205933e-10 1.3640003e-10 3.0704621e-10 ] [ 4.6811374e-10 3.4769966e-10 2.3654163e-10 ] [ 3.0074574e-10 1.7347431e-10 2.1497174e-10 ] [ 3.4194988e-10 5.145567e-11 4.2050761e-10 ] [ 4.0464664e-10 2.8218872e-10 4.6129027e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.57e-05 -2.7e-05 -4.45e-05 ] [ -1.98e-05 -1.56e-05 1.28e-05 ] [ -1.61e-05 1.41e-05 -3.37e-05 ] [ 2.06e-05 -4.66e-05 -1.2e-06 ] [ 5e-07 3e-05 3.49e-05 ] [ -1.7e-05 2.02e-05 8.8e-06 ] [ -3.8e-06 2.5e-05 2.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.719770536256001e-14 -4.32587687616e-14 -7.129685962560001e-14 ] [ -3.172309709184e-14 -2.499395528448e-14 2.050786074624e-14 ] [ -2.579504359488e-14 2.259069035328e-14 -5.399335212096e-14 ] [ 3.300483838848e-14 -7.466143052928e-14 -1.92261194496e-15 ] [ 8.010883104e-16 4.8065298624e-14 5.591596406592e-14 ] [ -2.72370025536e-14 3.236396774016e-14 1.409915426304e-14 ] [ -6.08827115904e-15 4.005441552e-14 3.652962695424e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }