{ "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" [ [ 0.1126891 1.464287 0.6414025 ] [ 1.365449 0.1265984 2.502806 ] [ 0.3364486 2.37729 2.80341 ] [ 2.851665 1.424041 0.0715282 ] [ 2.597469 0.5436052 1.609588 ] [ 2.328633 2.330176 2.375244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.126891e-11 1.464287e-10 6.414025e-11 ] [ 1.365449e-10 1.265984e-11 2.502806e-10 ] [ 3.364486e-11 2.37729e-10 2.80341e-10 ] [ 2.851665e-10 1.424041e-10 7.15282e-12 ] [ 2.597469e-10 5.436052e-11 1.609588e-10 ] [ 2.328633e-10 2.330176e-10 2.375244e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.4186749 -8.6580773 3.4964409 ] [ -9.6118212 -22.5658312 2.4844412 ] [ -7.4898366 8.9721681 5.1400338 ] [ 2.2168537 -2.2112804 -18.5347696 ] [ -10.0499473 -0.7403208 -7.3329189 ] [ 7.5160766 25.2033416 14.7467726 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.790779369009578e-08 -1.387176903113919e-08 5.601915865988911e-09 ] [ -1.53998352099498e-08 -3.615444717755922e-08 3.980513606392297e-09 ] [ -1.200004109413216e-08 1.437499796770756e-08 8.235241984481784e-09 ] [ 3.551791169873977e-09 -3.542861758913273e-09 -2.969597452503457e-08 ] [ -1.610179060433208e-08 -1.186124677651952e-09 -1.174863122380245e-08 ] [ 1.204208220866195e-08 4.038020467755607e-08 2.362693429197403e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8096275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.308049356056752e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6334785 1.2283065 0.7655396 ] [ 1.0490855 0.2589521 3.0720949 ] [ -0.0834328 2.532499 2.8283681 ] [ 2.8405249 2.0240767 -0.2171844 ] [ 2.7684401 -0.0399849 1.2813087 ] [ 2.3842575 2.2621481 2.2738517 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.334785e-11 1.2283065e-10 7.655396e-11 ] [ 1.0490855e-10 2.589521e-11 3.0720949e-10 ] [ -8.34328e-12 2.532499e-10 2.8283681e-10 ] [ 2.8405249e-10 2.0240767e-10 -2.171844e-11 ] [ 2.7684401e-10 -3.99849e-12 1.2813087e-10 ] [ 2.3842575e-10 2.2621481e-10 2.2738517e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0002251 5.3e-06 1.3e-06 ] [ 3.94e-05 3.87e-05 0.0001363 ] [ 4.1e-06 -1.98e-05 -0.0001127 ] [ 0.0001133 0.0001261 -9.2e-05 ] [ 7.79e-05 -0.0002515 -0.0001 ] [ -9.5e-06 0.0001011 0.0001672 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.6064995734208e-13 8.491536090240001e-15 2.08282960704e-15 ] [ 6.312575885952001e-14 6.200423522496e-14 2.1837667341504e-13 ] [ 6.568924145279999e-15 -3.172309709184e-14 -1.8056530516416e-13 ] [ 1.8152661113664e-13 2.0203447188288e-13 -1.474002491136e-13 ] [ 1.2480955876032e-13 -4.029474201312e-13 -1.6021766208e-13 ] [ -1.52206778976e-14 1.6198005636288e-13 2.6788393099776e-13 ] ] } "relaxed-potential-energy" { "source-value" -22.308234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.574173096613567e-18 } }